chempirical

4-Oxazolecarboxylic acid

C4H3NO3CAS 23012-13-7113.07 g/mol

Open in Covalent MOL file
OHOON
Carboxylic acid

Properties

Molecular formula
C4H3NO3
Molar mass
113.07 g/mol
Exact mass
113.0113 Da
Melting point
142 °C
logP
0.37Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
23012-13-7
SMILES
O=C(O)c1cocn1
InChIKey
JBCFJMYPJJWIRG-UHFFFAOYSA-N
InChI
InChI=1S/C4H3NO3/c6-4(7)3-1-8-2-5-3/h1-2H,(H,6,7)

Weigh it out

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

Names and synonyms

2 names
  • 4-Carboxyoxazole
  • 1,3-Oxazole-4-carboxylic acid

Work with 4-Oxazolecarboxylic 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-Pyrazinedicarboxylic acid122-05-452 % similar 4-Pyrimidinecarboxylic acid31462-59-647 % similar 6-Hydroxypyrimidine-4-carboxylic acid6299-87-245 % similar Ethyl oxazole-4-carboxylate23012-14-844 % similar 6-Chloro-4-pyrimidinecarboxylic acid37131-91-244 % similar Pyrazinoic acid98-97-544 % similar Picolinic acid98-98-644 % similar Dipicolinic acid499-83-243 % similar

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

Same formula

Oxazole-5-carboxylic acid118994-90-4 3-Isoxazolecarboxylic acid3209-71-0 N-Hydroxymaleimide4814-74-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook