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Isoxazoles

Aromatic organic heterocyclic compounds that consist of an azole with a nitrogen atom and an oxygen atom with the formula: C3H3NO.
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1
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Sulfisoxazole, 99%, Thermo Scientific Chemicals

CAS: 127-69-5 Molecular Formula: C11H13N3O3S Molecular Weight (g/mol): 267.3 InChI Key: NHUHCSRWZMLRLA-UHFFFAOYSA-N Synonym: sulfisoxazole,sulfafurazole,sulphafurazole,sulfisoxazol,sulfafurazol,sulfaisoxazole,sulfofurazole,sulfisoxasole,sulphaisoxazole,sulfadimethylisoxazole PubChem CID: 5344 ChEBI: CHEBI:102484 IUPAC Name: 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N

PubChem CID 5344
CAS 127-69-5
Molecular Weight (g/mol) 267.3
ChEBI CHEBI:102484
SMILES CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N
Synonym sulfisoxazole,sulfafurazole,sulphafurazole,sulfisoxazol,sulfafurazol,sulfaisoxazole,sulfofurazole,sulfisoxasole,sulphaisoxazole,sulfadimethylisoxazole
IUPAC Name 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
InChI Key NHUHCSRWZMLRLA-UHFFFAOYSA-N
Molecular Formula C11H13N3O3S
2
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5-Methylisoxazole-3-carbonyl chloride, 98%, Thermo Scientific Chemicals

CAS: 39499-34-8 Molecular Formula: C5H4ClNO2 Molecular Weight (g/mol): 145.54 MDL Number: MFCD00085127 InChI Key: XMVNMWDLOGSUSM-UHFFFAOYSA-N Synonym: 5-methylisoxazole-3-carbonyl chloride,3-isoxazolecarbonyl chloride, 5-methyl,5-methyl-3-isoxazolecarbonyl chloride,5-methyl-isoxazole-3-carbonyl chloride,acmc-209j5v,5-methyl-3-isoxazoyl chloride,5-methylisoxazole carbonyl chloride,5-methylisoxazol-3-ylcarbonyl chloride,3-isoxazolecarbonylchloride, 5-methyl,5-methyl isoxazole-3-carbonyl chloride PubChem CID: 2736894 IUPAC Name: 5-methyl-1,2-oxazole-3-carbonyl chloride SMILES: CC1=CC(=NO1)C(Cl)=O

PubChem CID 2736894
CAS 39499-34-8
Molecular Weight (g/mol) 145.54
MDL Number MFCD00085127
SMILES CC1=CC(=NO1)C(Cl)=O
Synonym 5-methylisoxazole-3-carbonyl chloride,3-isoxazolecarbonyl chloride, 5-methyl,5-methyl-3-isoxazolecarbonyl chloride,5-methyl-isoxazole-3-carbonyl chloride,acmc-209j5v,5-methyl-3-isoxazoyl chloride,5-methylisoxazole carbonyl chloride,5-methylisoxazol-3-ylcarbonyl chloride,3-isoxazolecarbonylchloride, 5-methyl,5-methyl isoxazole-3-carbonyl chloride
IUPAC Name 5-methyl-1,2-oxazole-3-carbonyl chloride
InChI Key XMVNMWDLOGSUSM-UHFFFAOYSA-N
Molecular Formula C5H4ClNO2
3
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3-Methylisoxazole-4-carboxylic acid, 98+%, Thermo Scientific Chemicals

CAS: 17153-20-7 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD01318161 InChI Key: YBLSBWHFPXDRHC-UHFFFAOYSA-N Synonym: 3-methylisoxazole-4-carboxylic acid,3-methyl-4-isoxazolecarboxylic acid,3-methyl-4-isoxazolecarboxylicacid,3-methyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-methyl,3-methylisoxazole-4-carboxylicacid,pubchem10465,acmc-1c78i,3-methylisoxazole-s-carboxylic acid,4-isoxazolecarboxylicacid,3-methyl PubChem CID: 4589692 IUPAC Name: 3-methyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=NOC=C1C(=O)O

PubChem CID 4589692
CAS 17153-20-7
Molecular Weight (g/mol) 127.099
MDL Number MFCD01318161
SMILES CC1=NOC=C1C(=O)O
Synonym 3-methylisoxazole-4-carboxylic acid,3-methyl-4-isoxazolecarboxylic acid,3-methyl-4-isoxazolecarboxylicacid,3-methyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-methyl,3-methylisoxazole-4-carboxylicacid,pubchem10465,acmc-1c78i,3-methylisoxazole-s-carboxylic acid,4-isoxazolecarboxylicacid,3-methyl
IUPAC Name 3-methyl-1,2-oxazole-4-carboxylic acid
InChI Key YBLSBWHFPXDRHC-UHFFFAOYSA-N
Molecular Formula C5H5NO3
4
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2-Methyl-2-phenylpropylmagnesium chloride, 0.5M solution in diethyl ether, AcroSeal™

CAS: 35293-35-7 Molecular Formula: C10H13ClMg Molecular Weight (g/mol): 192.97 MDL Number: MFCD00075586 InChI Key: BXKYFONHSSFLKR-UHFFFAOYSA-M Synonym: neophylmagnesium chloride,chloro 2-methyl-2-phenylpropyl magnesium,magnesium, chloro 2-methyl-2-phenylpropyl,2-methyl-2-phenylpropylmagnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution,neophyl magnesium chloride,bxkyfonhssflkr-uhfffaoysa-m,2-methyl-2-phenylpropyl magnesium chloride,2-methyl-2-phenyl-propanyl magnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution, 0.5 m in diethyl ether PubChem CID: 118802 IUPAC Name: magnesium;2-methanidylpropan-2-ylbenzene;chloride SMILES: CC(C)(C[Mg]Cl)C1=CC=CC=C1

PubChem CID 118802
CAS 35293-35-7
Molecular Weight (g/mol) 192.97
MDL Number MFCD00075586
SMILES CC(C)(C[Mg]Cl)C1=CC=CC=C1
Synonym neophylmagnesium chloride,chloro 2-methyl-2-phenylpropyl magnesium,magnesium, chloro 2-methyl-2-phenylpropyl,2-methyl-2-phenylpropylmagnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution,neophyl magnesium chloride,bxkyfonhssflkr-uhfffaoysa-m,2-methyl-2-phenylpropyl magnesium chloride,2-methyl-2-phenyl-propanyl magnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution, 0.5 m in diethyl ether
IUPAC Name magnesium;2-methanidylpropan-2-ylbenzene;chloride
InChI Key BXKYFONHSSFLKR-UHFFFAOYSA-M
Molecular Formula C10H13ClMg
5

3-Methylisoxazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 4857-42-5 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD00464222 InChI Key: HXIYCKAAQPHZBM-UHFFFAOYSA-N Synonym: 3-methylisoxazole-5-carboxylic acid,3-methyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-methyl,3-methyl-isoxazole-5-carboxylic acid,5-carboxy-3-methylisoxazole,5-isoxazolecarboxylicacid, 3-methyl,3-methylisoxazole-5-carboxylicacid,acmc-1aruu,3-methyl-5-carboxyisoxazole,aronis24519 PubChem CID: 853085 IUPAC Name: 3-methyl-1,2-oxazole-5-carboxylic acid SMILES: CC1=NOC(=C1)C(=O)O

PubChem CID 853085
CAS 4857-42-5
Molecular Weight (g/mol) 127.099
MDL Number MFCD00464222
SMILES CC1=NOC(=C1)C(=O)O
Synonym 3-methylisoxazole-5-carboxylic acid,3-methyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-methyl,3-methyl-isoxazole-5-carboxylic acid,5-carboxy-3-methylisoxazole,5-isoxazolecarboxylicacid, 3-methyl,3-methylisoxazole-5-carboxylicacid,acmc-1aruu,3-methyl-5-carboxyisoxazole,aronis24519
IUPAC Name 3-methyl-1,2-oxazole-5-carboxylic acid
InChI Key HXIYCKAAQPHZBM-UHFFFAOYSA-N
Molecular Formula C5H5NO3
6

(5-Methylisoxazol-3-yl)methanol, 97%, Thermo Scientific™

CAS: 35166-33-7 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.12 MDL Number: MFCD00085129 InChI Key: MDYHWQQHEWDJKR-UHFFFAOYSA-N Synonym: 5-methylisoxazol-3-yl methanol,3-hydroxymethyl-5-methylisoxazole,5-methyl-1,2-oxazol-3-yl methanol,5-methyl-3-isoxazolemethanol,5-methyl-isoxazol-3-yl-methanol,5-methylisoxazole-3-methanol,5-methyl-3-isoxazolyl methanol,5-methyl-isoxazol-3-yl methanol,3-isoxazolemethanol, 5-methyl PubChem CID: 2736567 IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methanol SMILES: CC1=CC(CO)=NO1

PubChem CID 2736567
CAS 35166-33-7
Molecular Weight (g/mol) 113.12
MDL Number MFCD00085129
SMILES CC1=CC(CO)=NO1
Synonym 5-methylisoxazol-3-yl methanol,3-hydroxymethyl-5-methylisoxazole,5-methyl-1,2-oxazol-3-yl methanol,5-methyl-3-isoxazolemethanol,5-methyl-isoxazol-3-yl-methanol,5-methylisoxazole-3-methanol,5-methyl-3-isoxazolyl methanol,5-methyl-isoxazol-3-yl methanol,3-isoxazolemethanol, 5-methyl
IUPAC Name (5-methyl-1,2-oxazol-3-yl)methanol
InChI Key MDYHWQQHEWDJKR-UHFFFAOYSA-N
Molecular Formula C5H7NO2
7

3-(Chloromethyl)-5-phenylisoxazole, ≥97%, Thermo Scientific™

CAS: 14731-10-3 Molecular Formula: C10H8ClNO Molecular Weight (g/mol): 193.63 MDL Number: MFCD01444154 InChI Key: MLJJRVMANUGETQ-UHFFFAOYSA-N PubChem CID: 1484769 IUPAC Name: 3-(chloromethyl)-5-phenyl-1,2-oxazole SMILES: ClCC1=NOC(=C1)C1=CC=CC=C1

PubChem CID 1484769
CAS 14731-10-3
Molecular Weight (g/mol) 193.63
MDL Number MFCD01444154
SMILES ClCC1=NOC(=C1)C1=CC=CC=C1
IUPAC Name 3-(chloromethyl)-5-phenyl-1,2-oxazole
InChI Key MLJJRVMANUGETQ-UHFFFAOYSA-N
Molecular Formula C10H8ClNO
8

Isoxazole-5-carbonyl chloride, TECH, Thermo Scientific™

CAS: 62348-13-4 Molecular Formula: C4H2ClNO2 Molecular Weight (g/mol): 131.52 MDL Number: MFCD00067868 InChI Key: NASLINFISOTVJJ-UHFFFAOYSA-N Synonym: isoxazole-5-carbonyl chloride,5-isoxazolecarbonyl chloride,isoxazole-5-carbonylchloride,isoxazole-5-carboxylic acid chloride,acmc-1bhwq,5-isoxazolecarbonylchloride,isoxazol-5-carbonyl chloride,isoxazole-5-carbonyl-chloride,5-isoxazolecarbonyl chloride 9ci PubChem CID: 2736707 IUPAC Name: 1,2-oxazole-5-carbonyl chloride SMILES: ClC(=O)C1=CC=NO1

PubChem CID 2736707
CAS 62348-13-4
Molecular Weight (g/mol) 131.52
MDL Number MFCD00067868
SMILES ClC(=O)C1=CC=NO1
Synonym isoxazole-5-carbonyl chloride,5-isoxazolecarbonyl chloride,isoxazole-5-carbonylchloride,isoxazole-5-carboxylic acid chloride,acmc-1bhwq,5-isoxazolecarbonylchloride,isoxazol-5-carbonyl chloride,isoxazole-5-carbonyl-chloride,5-isoxazolecarbonyl chloride 9ci
IUPAC Name 1,2-oxazole-5-carbonyl chloride
InChI Key NASLINFISOTVJJ-UHFFFAOYSA-N
Molecular Formula C4H2ClNO2
9

3-(Chloromethyl)-5-thien-2-ylisoxazole, ≥97%, Thermo Scientific™

CAS: 863669-57-2 Molecular Formula: C8H6ClNOS Molecular Weight (g/mol): 199.65 MDL Number: MFCD07339176 InChI Key: RKWOCISPZAHSCF-UHFFFAOYSA-N Synonym: 3-chloromethyl-5-thien-2-ylisoxazole,3-chloromethyl-5-thiophen-2-yl-1,2-oxazole,isoxazole,3-chloromethyl-5-2-thienyl,2-3-chloromethyl isoxazol-5-yl thiophene,3-chloromethyl-5-thiophen-2-yl isoxazole PubChem CID: 7130599 IUPAC Name: 3-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole SMILES: ClCC1=NOC(=C1)C1=CC=CS1

PubChem CID 7130599
CAS 863669-57-2
Molecular Weight (g/mol) 199.65
MDL Number MFCD07339176
SMILES ClCC1=NOC(=C1)C1=CC=CS1
Synonym 3-chloromethyl-5-thien-2-ylisoxazole,3-chloromethyl-5-thiophen-2-yl-1,2-oxazole,isoxazole,3-chloromethyl-5-2-thienyl,2-3-chloromethyl isoxazol-5-yl thiophene,3-chloromethyl-5-thiophen-2-yl isoxazole
IUPAC Name 3-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole
InChI Key RKWOCISPZAHSCF-UHFFFAOYSA-N
Molecular Formula C8H6ClNOS
10

3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 3919-76-4 Molecular Formula: C11H7Cl2NO3 Molecular Weight (g/mol): 272.08 MDL Number: MFCD00051658 InChI Key: WQXUUMUOERZZAE-UHFFFAOYSA-N Synonym: 3-2,6-dichlorophenyl-5-methylisoxazole-4-carboxylic acid,5-methyl-3-2',6'-dichlorophenyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-2,6-dichlorophenyl-5-methyl,3-2,6-dichlorophenyl-5-methyl-1,2-oxazole-4-carboxylic acid,3-2,6-dichlorophenyl-5-methyl-4-isoxazolecarboxylic acid,pubchem8684,dicloxacillin impurity d,acmc-1cmb3,pyridinium hydroxy propyl sulphobetaine; pps-oh,3-2,6-dichlorophenyl-5-methylisoxazol-4-carboxylic acid PubChem CID: 77521 IUPAC Name: 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(O)=O)C(=NO1)C1=C(Cl)C=CC=C1Cl

PubChem CID 77521
CAS 3919-76-4
Molecular Weight (g/mol) 272.08
MDL Number MFCD00051658
SMILES CC1=C(C(O)=O)C(=NO1)C1=C(Cl)C=CC=C1Cl
Synonym 3-2,6-dichlorophenyl-5-methylisoxazole-4-carboxylic acid,5-methyl-3-2',6'-dichlorophenyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-2,6-dichlorophenyl-5-methyl,3-2,6-dichlorophenyl-5-methyl-1,2-oxazole-4-carboxylic acid,3-2,6-dichlorophenyl-5-methyl-4-isoxazolecarboxylic acid,pubchem8684,dicloxacillin impurity d,acmc-1cmb3,pyridinium hydroxy propyl sulphobetaine; pps-oh,3-2,6-dichlorophenyl-5-methylisoxazol-4-carboxylic acid
IUPAC Name 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
InChI Key WQXUUMUOERZZAE-UHFFFAOYSA-N
Molecular Formula C11H7Cl2NO3
11

(3-Methylisoxazol-5-yl)methanol, 97%, Thermo Scientific™

CAS: 14716-89-3 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.116 MDL Number: MFCD09859210 InChI Key: OFSDWHRZVRCPBR-UHFFFAOYSA-N Synonym: 3-methylisoxazol-5-yl methanol,3-methyl-1,2-oxazol-5-yl methanol,3-methyl-5-isoxazolemethanol,5-isoxazolemethanol,3-methyl,3-methylisoxazol-5-yl methan-1-ol,3-methylisoxazole-5-methanol,5-isoxazolemethanol, 3-methyl,3-methyl-5-isoxazolyl methanol,5-hydroxymethyl-3-methylisoxazole,5-hydroxymethyl-3-methyl-isoxazole PubChem CID: 10820493 IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methanol SMILES: CC1=NOC(=C1)CO

PubChem CID 10820493
CAS 14716-89-3
Molecular Weight (g/mol) 113.116
MDL Number MFCD09859210
SMILES CC1=NOC(=C1)CO
Synonym 3-methylisoxazol-5-yl methanol,3-methyl-1,2-oxazol-5-yl methanol,3-methyl-5-isoxazolemethanol,5-isoxazolemethanol,3-methyl,3-methylisoxazol-5-yl methan-1-ol,3-methylisoxazole-5-methanol,5-isoxazolemethanol, 3-methyl,3-methyl-5-isoxazolyl methanol,5-hydroxymethyl-3-methylisoxazole,5-hydroxymethyl-3-methyl-isoxazole
IUPAC Name (3-methyl-1,2-oxazol-5-yl)methanol
InChI Key OFSDWHRZVRCPBR-UHFFFAOYSA-N
Molecular Formula C5H7NO2
12

4-(Bromomethyl)-3-methyl-5-phenylisoxazole, ≥95%, Thermo Scientific™

CAS: 113841-59-1 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.111 MDL Number: MFCD03086124 InChI Key: KCGVZUOBUPWFJC-UHFFFAOYSA-N PubChem CID: 2776518 IUPAC Name: 4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole SMILES: CC1=NOC(=C1CBr)C2=CC=CC=C2

PubChem CID 2776518
CAS 113841-59-1
Molecular Weight (g/mol) 252.111
MDL Number MFCD03086124
SMILES CC1=NOC(=C1CBr)C2=CC=CC=C2
IUPAC Name 4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole
InChI Key KCGVZUOBUPWFJC-UHFFFAOYSA-N
Molecular Formula C11H10BrNO
13

5-Methylisoxazole-3-carboxylic acid, 97%, Thermo Scientific™

CAS: 3405-77-4 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD01318162 InChI Key: BNMPIJWVMVNSRD-UHFFFAOYSA-N Synonym: 5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p PubChem CID: 76947 IUPAC Name: 5-methyl-1,2-oxazole-3-carboxylic acid SMILES: CC1=CC(=NO1)C(=O)O

PubChem CID 76947
CAS 3405-77-4
Molecular Weight (g/mol) 127.099
MDL Number MFCD01318162
SMILES CC1=CC(=NO1)C(=O)O
Synonym 5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p
IUPAC Name 5-methyl-1,2-oxazole-3-carboxylic acid
InChI Key BNMPIJWVMVNSRD-UHFFFAOYSA-N
Molecular Formula C5H5NO3
14

3-(Chloromethyl)-5-(2-furyl)isoxazole, ≥97%, Thermo Scientific™

CAS: 848658-70-8 Molecular Formula: C8H6ClNO2 Molecular Weight (g/mol): 183.591 MDL Number: MFCD07329988 InChI Key: IPIMDVOPXIOKAK-UHFFFAOYSA-N Synonym: 3-chloromethyl-5-2-furyl isoxazole,3-chloromethyl-5-furan-2-yl-1,2-oxazole,isoxazole,3-chloromethyl-5-2-furanyl,3-chloromethyl-5-furan-2-yl isoxazole PubChem CID: 4962799 IUPAC Name: 3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole SMILES: C1=COC(=C1)C2=CC(=NO2)CCl

PubChem CID 4962799
CAS 848658-70-8
Molecular Weight (g/mol) 183.591
MDL Number MFCD07329988
SMILES C1=COC(=C1)C2=CC(=NO2)CCl
Synonym 3-chloromethyl-5-2-furyl isoxazole,3-chloromethyl-5-furan-2-yl-1,2-oxazole,isoxazole,3-chloromethyl-5-2-furanyl,3-chloromethyl-5-furan-2-yl isoxazole
IUPAC Name 3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole
InChI Key IPIMDVOPXIOKAK-UHFFFAOYSA-N
Molecular Formula C8H6ClNO2
15

4-(Bromomethyl)-5-methyl-3-phenylisoxazole, 97%, Thermo Scientific™

CAS: 180597-83-5 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.11 MDL Number: MFCD02677680 InChI Key: UICMWXWMCOJBIQ-UHFFFAOYSA-N PubChem CID: 2776147 IUPAC Name: 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole SMILES: CC1=C(CBr)C(=NO1)C1=CC=CC=C1

PubChem CID 2776147
CAS 180597-83-5
Molecular Weight (g/mol) 252.11
MDL Number MFCD02677680
SMILES CC1=C(CBr)C(=NO1)C1=CC=CC=C1
IUPAC Name 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
InChI Key UICMWXWMCOJBIQ-UHFFFAOYSA-N
Molecular Formula C11H10BrNO