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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Thiazoles (7,287)
Imidazoles (5,922)
Pyrazoles (2,019)
Oxazoles (1,548)
Triazoles (655)
Oxadiazoles (492)
Isoxazoles (260)
Thiadiazoles (88)
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391 – 405 of 17,055 results
391
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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
392

3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 849066-63-3 Molecular Formula: C9H8N2O4 Molecular Weight (g/mol): 208.173 MDL Number: MFCD01880302 InChI Key: ASBPDKJMOPNMLF-UHFFFAOYSA-N Synonym: 3-methyl-5-5-methylisoxazol-3-yl isoxazole-4-carboxylic acid,3-methyl-5-5-methyl-1,2-oxazol-3-yl-1,2-oxazole-4-carboxylic acid,3,5'-biisoxazole-4'-carboxylicacid, 3',5-dimethyl,maybridge3_007228,3',5-dimethyl-3,5'-biisoxazole-4'-carboxylic acid,3-methyl-5-5-methylisoxazol-3-yl-4-carboxylic acid PubChem CID: 2744621 IUPAC Name: 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid SMILES: CC1=CC(=NO1)C2=C(C(=NO2)C)C(=O)O

PubChem CID 2744621
CAS 849066-63-3
Molecular Weight (g/mol) 208.173
MDL Number MFCD01880302
SMILES CC1=CC(=NO1)C2=C(C(=NO2)C)C(=O)O
Synonym 3-methyl-5-5-methylisoxazol-3-yl isoxazole-4-carboxylic acid,3-methyl-5-5-methyl-1,2-oxazol-3-yl-1,2-oxazole-4-carboxylic acid,3,5'-biisoxazole-4'-carboxylicacid, 3',5-dimethyl,maybridge3_007228,3',5-dimethyl-3,5'-biisoxazole-4'-carboxylic acid,3-methyl-5-5-methylisoxazol-3-yl-4-carboxylic acid
IUPAC Name 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid
InChI Key ASBPDKJMOPNMLF-UHFFFAOYSA-N
Molecular Formula C9H8N2O4
393

[5-(2-Furyl)isoxazol-3-yl]methanol, ≥97%, Thermo Scientific™

CAS: 852180-63-3 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.148 MDL Number: MFCD07772820 InChI Key: NBBDGNIUCJFJPO-UHFFFAOYSA-N Synonym: 5-2-furyl isoxazol-3-yl methanol,5-furan-2-yl-1,2-oxazol-3-yl methanol,5-furan-2-yl isoxazol-3-yl methanol,5-2-furyl isoxazol-3-yl methan-1-ol,5-2-furanyl-3-isoxazolylmethanol,5-2-furyl-3-isoxazolyl methanol,5-furan-2-yl-isoxazol-3-yl-methanol PubChem CID: 7164591 IUPAC Name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methanol SMILES: C1=COC(=C1)C2=CC(=NO2)CO

PubChem CID 7164591
CAS 852180-63-3
Molecular Weight (g/mol) 165.148
MDL Number MFCD07772820
SMILES C1=COC(=C1)C2=CC(=NO2)CO
Synonym 5-2-furyl isoxazol-3-yl methanol,5-furan-2-yl-1,2-oxazol-3-yl methanol,5-furan-2-yl isoxazol-3-yl methanol,5-2-furyl isoxazol-3-yl methan-1-ol,5-2-furanyl-3-isoxazolylmethanol,5-2-furyl-3-isoxazolyl methanol,5-furan-2-yl-isoxazol-3-yl-methanol
IUPAC Name [5-(furan-2-yl)-1,2-oxazol-3-yl]methanol
InChI Key NBBDGNIUCJFJPO-UHFFFAOYSA-N
Molecular Formula C8H7NO3
394

5-Methyl-3-isoxazolecarbonitrile, 97%, Thermo Scientific™

CAS: 57351-99-2 Molecular Formula: C5H4N2O Molecular Weight (g/mol): 108.10 MDL Number: MFCD09064940 InChI Key: JTPIMYCMWLOEDD-UHFFFAOYSA-N PubChem CID: 24229456 IUPAC Name: 5-methyl-1,2-oxazole-3-carbonitrile SMILES: CC1=CC(=NO1)C#N

PubChem CID 24229456
CAS 57351-99-2
Molecular Weight (g/mol) 108.10
MDL Number MFCD09064940
SMILES CC1=CC(=NO1)C#N
IUPAC Name 5-methyl-1,2-oxazole-3-carbonitrile
InChI Key JTPIMYCMWLOEDD-UHFFFAOYSA-N
Molecular Formula C5H4N2O
395

[5-(2-Thienyl)-3-isoxazolyl]methanol, 97%, Thermo Scientific™

CAS: 194491-44-6 Molecular Formula: C8H7NO2S Molecular Weight (g/mol): 181.209 MDL Number: MFCD03086162 InChI Key: HUAGDHXVPCSWLD-UHFFFAOYSA-N Synonym: 5-2-thienyl-3-isoxazolyl methanol,5-thiophen-2-yl isoxazol-3-yl methanol,5-thiophen-2-yl-1,2-oxazol-3-yl methanol,3-isoxazolemethanol,5-2-thienyl,5-thiophen-2-ylisoxazol-3-yl methanol,3mq,5-2-thienyl isoxazol-3-yl methanol,5-2-thienyl isoxazol-3-yl methan-1-ol,5-thiophen-2-yl isoxazol-3-yl methanol . PubChem CID: 2776547 IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methanol SMILES: C1=CSC(=C1)C2=CC(=NO2)CO

PubChem CID 2776547
CAS 194491-44-6
Molecular Weight (g/mol) 181.209
MDL Number MFCD03086162
SMILES C1=CSC(=C1)C2=CC(=NO2)CO
Synonym 5-2-thienyl-3-isoxazolyl methanol,5-thiophen-2-yl isoxazol-3-yl methanol,5-thiophen-2-yl-1,2-oxazol-3-yl methanol,3-isoxazolemethanol,5-2-thienyl,5-thiophen-2-ylisoxazol-3-yl methanol,3mq,5-2-thienyl isoxazol-3-yl methanol,5-2-thienyl isoxazol-3-yl methan-1-ol,5-thiophen-2-yl isoxazol-3-yl methanol .
IUPAC Name (5-thiophen-2-yl-1,2-oxazol-3-yl)methanol
InChI Key HUAGDHXVPCSWLD-UHFFFAOYSA-N
Molecular Formula C8H7NO2S
396

3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride, Thermo Scientific™

CAS: 4462-55-9 Molecular Formula: C11H6Cl3NO2 Molecular Weight (g/mol): 290.524 InChI Key: IZQGELJKDARDMZ-UHFFFAOYSA-N Synonym: 3-2,6-dichlorophenyl-5-methylisoxazole-4-carbonyl chloride,dcimc chloride,3-2,6-dichlorophenyl-5-methyl-1,2-oxazole-4-carbonyl chloride,3-2,6-dichlorophenyl-5-methylisoxazole-4-carbonylchloride,4-isoxazolecarbonyl chloride, 3-2,6-dichlorophenyl-5-methyl,3-2,6-dichlorophenyl-5-methylisoxazole-4-carboxylic acid chloride,3-2,6-dichlorophenyl-5-methyl isoxazole-4-carbonyl chloride,pubchem8683,dsstox_cid_31536,dsstox_rid_97421 PubChem CID: 78212 IUPAC Name: 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)Cl

PubChem CID 78212
CAS 4462-55-9
Molecular Weight (g/mol) 290.524
SMILES CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)Cl
Synonym 3-2,6-dichlorophenyl-5-methylisoxazole-4-carbonyl chloride,dcimc chloride,3-2,6-dichlorophenyl-5-methyl-1,2-oxazole-4-carbonyl chloride,3-2,6-dichlorophenyl-5-methylisoxazole-4-carbonylchloride,4-isoxazolecarbonyl chloride, 3-2,6-dichlorophenyl-5-methyl,3-2,6-dichlorophenyl-5-methylisoxazole-4-carboxylic acid chloride,3-2,6-dichlorophenyl-5-methyl isoxazole-4-carbonyl chloride,pubchem8683,dsstox_cid_31536,dsstox_rid_97421
IUPAC Name 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
InChI Key IZQGELJKDARDMZ-UHFFFAOYSA-N
Molecular Formula C11H6Cl3NO2
397
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3-Methylisoxazole-5-carboxylic acid, 97%

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
398
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2,5-Dimercapto-1,3,4-thiadiazole, 97% (dry wt.), water <3%

CAS: 1072-71-5 Molecular Formula: C2H2N2S3 Molecular Weight (g/mol): 150.23 MDL Number: MFCD00003103 InChI Key: BIGYLAKFCGVRAN-UHFFFAOYSA-N Synonym: 1,3,4-thiadiazole-2,5-dithiol,2,5-dimercapto-1,3,4-thiadiazole,bismuthiol i,dimercaptothiadiazole,bismuththiol,2,5-dimercaptothiadiazole,usaf a-8354,bismuthiol,py 61h,bismuththiol i PubChem CID: 2723630 IUPAC Name: 1,3,4-thiadiazolidine-2,5-dithione SMILES: S=C1NNC(=S)S1

PubChem CID 2723630
CAS 1072-71-5
Molecular Weight (g/mol) 150.23
MDL Number MFCD00003103
SMILES S=C1NNC(=S)S1
Synonym 1,3,4-thiadiazole-2,5-dithiol,2,5-dimercapto-1,3,4-thiadiazole,bismuthiol i,dimercaptothiadiazole,bismuththiol,2,5-dimercaptothiadiazole,usaf a-8354,bismuthiol,py 61h,bismuththiol i
IUPAC Name 1,3,4-thiadiazolidine-2,5-dithione
InChI Key BIGYLAKFCGVRAN-UHFFFAOYSA-N
Molecular Formula C2H2N2S3
399
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3-Mercapto-1,2,4-triazole, 98%

CAS: 3179-31-5 Molecular Formula: C2H3N3S Molecular Weight (g/mol): 101.13 MDL Number: MFCD00005229 InChI Key: AFBBKYQYNPNMAT-UHFFFAOYSA-N Synonym: 1h-1,2,4-triazole-3-thiol,3-mercapto-1,2,4-triazole,1,2,4-triazole-3-thiol,mercaptotriazole,4h-1,2,4-triazole-3-thiol,s-triazole-3-thiol,3-mercapto-1h-1,2,4-triazole,1,2,4-triazole-5-thiol,1,3,4-triazine-2-thiol,1,3,4-triazole-2-thiol PubChem CID: 2723802 SMILES: S=C1NNC=N1

PubChem CID 2723802
CAS 3179-31-5
Molecular Weight (g/mol) 101.13
MDL Number MFCD00005229
SMILES S=C1NNC=N1
Synonym 1h-1,2,4-triazole-3-thiol,3-mercapto-1,2,4-triazole,1,2,4-triazole-3-thiol,mercaptotriazole,4h-1,2,4-triazole-3-thiol,s-triazole-3-thiol,3-mercapto-1h-1,2,4-triazole,1,2,4-triazole-5-thiol,1,3,4-triazine-2-thiol,1,3,4-triazole-2-thiol
InChI Key AFBBKYQYNPNMAT-UHFFFAOYSA-N
Molecular Formula C2H3N3S
400
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3-Nitro-1,2,4-triazole, 96%

CAS: 24807-55-4 Molecular Formula: C2H2N4O2 Molecular Weight (g/mol): 114.064 MDL Number: MFCD00009749 InChI Key: KUEFXPHXHHANKS-UHFFFAOYSA-N Synonym: 3-nitro-1,2,4-triazole,3-nitro-1h-1,2,4-triazole,3-nitro-4h-1,2,4-triazole,1h-1,2,4-triazole, 3-nitro,s-triazole, 3-nitro,5-nitro-1h-1,2,4 triazole,3-nitro-1,2,4 triazole,zlchem 554,3-nitro-1,4-triazole PubChem CID: 90614 IUPAC Name: 5-nitro-1H-1,2,4-triazole SMILES: C1=NNC(=N1)[N+](=O)[O-]

PubChem CID 90614
CAS 24807-55-4
Molecular Weight (g/mol) 114.064
MDL Number MFCD00009749
SMILES C1=NNC(=N1)[N+](=O)[O-]
Synonym 3-nitro-1,2,4-triazole,3-nitro-1h-1,2,4-triazole,3-nitro-4h-1,2,4-triazole,1h-1,2,4-triazole, 3-nitro,s-triazole, 3-nitro,5-nitro-1h-1,2,4 triazole,3-nitro-1,2,4 triazole,zlchem 554,3-nitro-1,4-triazole
IUPAC Name 5-nitro-1H-1,2,4-triazole
InChI Key KUEFXPHXHHANKS-UHFFFAOYSA-N
Molecular Formula C2H2N4O2
401
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1H-Indazol-6-ylboronic acid, 97%, Thermo Scientific Chemicals

CAS: 885068-10-0 Molecular Formula: C7H7BN2O2 Molecular Weight (g/mol): 161.96 MDL Number: MFCD04972419 InChI Key: ZKNLCHWRWRYPGG-UHFFFAOYSA-N Synonym: 6-indazolyboronic acid,1h-indazol-6-yl-6-boronic acid,1h-indazole-6-boronic acid,indazole-6-boronic acid,1h-indazol-6-yl boronic acid,6-indazolboronic acid,boronic acid, 1h-indazol-6-yl,1h-indazole-6-boronicacid,6-indazoleboronicacid,zlchem 1076 PubChem CID: 24728617 IUPAC Name: 1H-indazol-6-ylboronic acid SMILES: OB(O)C1=CC=C2C=NNC2=C1

PubChem CID 24728617
CAS 885068-10-0
Molecular Weight (g/mol) 161.96
MDL Number MFCD04972419
SMILES OB(O)C1=CC=C2C=NNC2=C1
Synonym 6-indazolyboronic acid,1h-indazol-6-yl-6-boronic acid,1h-indazole-6-boronic acid,indazole-6-boronic acid,1h-indazol-6-yl boronic acid,6-indazolboronic acid,boronic acid, 1h-indazol-6-yl,1h-indazole-6-boronicacid,6-indazoleboronicacid,zlchem 1076
IUPAC Name 1H-indazol-6-ylboronic acid
InChI Key ZKNLCHWRWRYPGG-UHFFFAOYSA-N
Molecular Formula C7H7BN2O2
402
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3-Nitro-1H-pyrazole, 97%, Thermo Scientific Chemicals

CAS: 26621-44-3 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00159621,MFCD00238787 InChI Key: MZRUFMBFIKGOAL-UHFFFAOYSA-N Synonym: 3-nitro-1h-pyrazole,3-nitropyrazole,1h-pyrazole, 3-nitro,3-nitro-2h-pyrazole,nitropyrazole,pyrazole, 3-nitro,5-nitro-1h-pyrazol,djw 94,djw-94,5-nitropyrazole PubChem CID: 123419 IUPAC Name: 5-nitro-1H-pyrazole SMILES: [O-][N+](=O)C1=CC=NN1

PubChem CID 123419
CAS 26621-44-3
Molecular Weight (g/mol) 113.08
MDL Number MFCD00159621,MFCD00238787
SMILES [O-][N+](=O)C1=CC=NN1
Synonym 3-nitro-1h-pyrazole,3-nitropyrazole,1h-pyrazole, 3-nitro,3-nitro-2h-pyrazole,nitropyrazole,pyrazole, 3-nitro,5-nitro-1h-pyrazol,djw 94,djw-94,5-nitropyrazole
IUPAC Name 5-nitro-1H-pyrazole
InChI Key MZRUFMBFIKGOAL-UHFFFAOYSA-N
Molecular Formula C3H3N3O2
403
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2-Mercapto-1,3,4-thiadiazole, 98%

CAS: 18686-82-3 Molecular Formula: C2H2N2S2 Molecular Weight (g/mol): 118.172 MDL Number: MFCD00040404 InChI Key: JLAMDELLBBZOOX-UHFFFAOYSA-N Synonym: 2-mercapto-1,3,4-thiadiazole,1,3,4-thiadiazole-2-thiol,2-mercapto-1,3,4-thiadiazol,1,3,4-thiadiazole-2 3h-thione,1,3,4-thiadiazol-2-yl hydrosulfide,5-mercapto-1,3,4-thiadiazole,mtd:2-mereapto-1,3,4-thiadiazole,acmc-20ansd,pubchem10119,ksc177e6p PubChem CID: 3034302 IUPAC Name: 3H-1,3,4-thiadiazole-2-thione SMILES: C1=NNC(=S)S1

PubChem CID 3034302
CAS 18686-82-3
Molecular Weight (g/mol) 118.172
MDL Number MFCD00040404
SMILES C1=NNC(=S)S1
Synonym 2-mercapto-1,3,4-thiadiazole,1,3,4-thiadiazole-2-thiol,2-mercapto-1,3,4-thiadiazol,1,3,4-thiadiazole-2 3h-thione,1,3,4-thiadiazol-2-yl hydrosulfide,5-mercapto-1,3,4-thiadiazole,mtd:2-mereapto-1,3,4-thiadiazole,acmc-20ansd,pubchem10119,ksc177e6p
IUPAC Name 3H-1,3,4-thiadiazole-2-thione
InChI Key JLAMDELLBBZOOX-UHFFFAOYSA-N
Molecular Formula C2H2N2S2
404

2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol, 97%, Thermo Scientific™

CAS: 103788-65-4 Molecular Formula: C12H13NO2 Molecular Weight (g/mol): 203.241 MDL Number: MFCD00100006 InChI Key: JYWHQBLLIBQGCU-UHFFFAOYSA-N PubChem CID: 725585 IUPAC Name: 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanol SMILES: CC1=C(N=C(O1)C2=CC=CC=C2)CCO

PubChem CID 725585
CAS 103788-65-4
Molecular Weight (g/mol) 203.241
MDL Number MFCD00100006
SMILES CC1=C(N=C(O1)C2=CC=CC=C2)CCO
IUPAC Name 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanol
InChI Key JYWHQBLLIBQGCU-UHFFFAOYSA-N
Molecular Formula C12H13NO2
405

5-Phenyl-1,3-oxazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 99924-18-2 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 MDL Number: MFCD00105447 InChI Key: RUKDIKJSGDVSIF-UHFFFAOYSA-N Synonym: 5-phenyloxazole-4-carboxylic acid,5-phenyl-4-oxazolecarboxylic acid,4-oxazolecarboxylic acid, 5-phenyl,5-phenyl-oxazole-4-carboxylic acid,buttpark 15357-35,4-carboxy-5-phenyl-1,3-oxazole,4-oxazolecarboxylicacid, 5-phenyl,5-phenyl-1,3-oxazol-4-ylcarboxylic acid,saltdata: free,2-amino-1,2,3,4-tetrahydro-5,8-dimethoxy-2-naphthalenecarboxylic acid methyl ester PubChem CID: 2776299 IUPAC Name: 5-phenyl-1,3-oxazole-4-carboxylic acid SMILES: OC(=O)C1=C(OC=N1)C1=CC=CC=C1

PubChem CID 2776299
CAS 99924-18-2
Molecular Weight (g/mol) 189.17
MDL Number MFCD00105447
SMILES OC(=O)C1=C(OC=N1)C1=CC=CC=C1
Synonym 5-phenyloxazole-4-carboxylic acid,5-phenyl-4-oxazolecarboxylic acid,4-oxazolecarboxylic acid, 5-phenyl,5-phenyl-oxazole-4-carboxylic acid,buttpark 15357-35,4-carboxy-5-phenyl-1,3-oxazole,4-oxazolecarboxylicacid, 5-phenyl,5-phenyl-1,3-oxazol-4-ylcarboxylic acid,saltdata: free,2-amino-1,2,3,4-tetrahydro-5,8-dimethoxy-2-naphthalenecarboxylic acid methyl ester
IUPAC Name 5-phenyl-1,3-oxazole-4-carboxylic acid
InChI Key RUKDIKJSGDVSIF-UHFFFAOYSA-N
Molecular Formula C10H7NO3