1,2-Oxazole-5-carboxylic acid

C4H3NO3CAS 21169-71-1113.07 g/mol

Open in Covalent MOL file
ONOOH
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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 10 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
21169-71-1
SMILES
C1=C(ON=C1)C(=O)O
InChIKey
MIIQJAUWHSUTIT-UHFFFAOYSA-N
InChI
InChI=1S/C4H3NO3/c6-4(7)3-1-2-5-8-3/h1-2H,(H,6,7)

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Names and synonyms

1 names
  • Isoxazole-5-carboxylic acid

Work with 1,2-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

Isoxazole-5-carbonyl chloride62348-13-453 % similar 2,5-Furandicarboxylic acid3238-40-252 % similar 3-Methyl-5-isoxazolecarboxylic acid4857-42-545 % similar 2-Furoic acid88-14-245 % similar 2,2'-Bipyridine-3,3'-dicarboxylic acid4433-01-644 % similar Isonicotinic acid55-22-143 % similar 3-Phenyl-5-isoxazolecarboxylic acid14442-12-743 % similar 5-Phenylfuran-2-carboxylic acid52938-97-343 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Oxazole-5-carboxylic acid118994-90-4 4-Oxazolecarboxylic acid23012-13-7 3-Isoxazolecarboxylic acid3209-71-0 N-Hydroxymaleimide4814-74-8 4-Isoxazolecarboxylic acid6436-62-0

Elsewhere

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