chempirical

Oxazole-5-carboxylic acid

C4H3NO3CAS 118994-90-4113.07 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

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 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 3-Methyl-5-isoxazolecarboxylic acid4857-42-541 % similar 1H-Imidazole-5-carboxylic acid1072-84-039 % similar 5-Thiazolecarboxylic acid14527-41-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Oxazolecarboxylic acid23012-13-7 3-Isoxazolecarboxylic acid3209-71-0 N-Hydroxymaleimide4814-74-8

Elsewhere

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