2-Phenyl-5-methyloxazole-4-acetic acid

C12H11NO3CAS 107367-98-6217.22 g/mol

Open in Covalent MOL file
ONOOH
Carboxylic acid

Properties

Molecular formula
C12H11NO3
Molar mass
217.22 g/mol
Exact mass
217.0739 Da
Melting point
126–127 °C
logP
2.28Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
107367-98-6
SMILES
Cc1oc(-c2ccccc2)nc1CC(=O)O
InChIKey
XEWJNPORMBGGKZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NO3/c1-8-10(7-11(14)15)13-12(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 4-Oxazoleacetic acid, 5-methyl-2-phenyl-
  • 5-Methyl-2-phenyl-4-oxazoleacetic acid
  • 5-Methyl-2-phenyloxazol-4-ylacetic acid
  • 2-(5-Methyl-2-phenyloxazol-4-yl)acetic acid
  • (5-Methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid
  • 2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid

Work with 2-Phenyl-5-methyloxazole-4-acetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate103788-64-364 % similar 2-(5-Methyl-2-phenyl-4-oxazolyl)ethanol103788-65-458 % similar 2-(5-Methyl-2-phenylthiazole-4-yl)acetic acid101736-22-553 % similar Felbinac5728-52-945 % similar (2-Phenyl-thiazol-4-yl)-acetic acid16441-28-444 % similar 1,2-Benzisoxazole-3-acetic acid4865-84-343 % similar Phenylacetic acid103-82-243 % similar Oxaprozin21256-18-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl N-(7-hydroxy-1-naphthalenyl)carbamate132-63-8 Oxazolone15646-46-5 4-Hydroxyquinoline-3-carboxylic acid ethyl ester26892-90-0 5-(3-Aminophenyl)furan-2-carboxylic acid methyl ester54023-06-2 Ethyl 3-cyano-3-phenylpyruvate6362-63-6 Ethyl 5-phenylisoxazole-3-carboxylate7063-99-2 Indole-3-(4'-oxo)butyric acid835-45-0

Elsewhere

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