Oxazole-5-carboxylic acid

C₄H₃NO₃CAS 118994-90-4113.07 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₄H₃NO₃
Molar mass: 113.07 g/mol
Exact mass: 113.0113 Da
logP: 0.37Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 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

118994-90-4

SMILES

C1=C(OC=N1)C(=O)O

InChIKey

QCGMEWVZBGQOFN-UHFFFAOYSA-N

InChI

InChI=1S/C4H3NO3/c6-4(7)3-1-5-2-8-3/h1-2H,(H,6,7)

Weigh it out

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

Work with Oxazole-5-carboxylic 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

2,5-Furandicarboxylic acid3238-40-246 % similar 2-Furoic acid88-14-245 % similar 5-Pyrimidinecarboxylic acid4595-61-345 % similar Ethyl oxazole-5-carboxylate118994-89-144 % similar Dinicotinic acid499-81-043 % similar 2,5-Pyrazinedicarboxylic acid122-05-441 % similar 4-Methyl-1,3-oxazole-5-carboxylic acid2510-32-941 % similar 3-Methyl-5-isoxazolecarboxylic acid4857-42-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Oxazole-5-carboxylic acid21169-71-1 4-Oxazolecarboxylic acid23012-13-7 3-Isoxazolecarboxylic acid3209-71-0 N-Hydroxymaleimide4814-74-8 4-Isoxazolecarboxylic acid6436-62-0

Elsewhere

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