3-Methyl-1,2-oxazole-4-carboxylic acid

C5H5NO3CAS 17153-20-7127.10 g/mol

Open in Covalent MOL file
NOOHO
Carboxylic acid

Properties

Molecular formula
C5H5NO3
Molar mass
127.10 g/mol
Exact mass
127.0269 Da
logP
0.68Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 9 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
17153-20-7
SMILES
CC1=NOC=C1C(=O)O
InChIKey
YBLSBWHFPXDRHC-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO3/c1-3-4(5(7)8)2-9-6-3/h2H,1H3,(H,7,8)

Weigh it out

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

Names and synonyms

1 names
  • 3-Methyl-4-isoxazolecarboxylic acid

Work with 3-Methyl-1,2-oxazole-4-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-Methylnicotinic acid3222-56-847 % similar 1H-Pyrazole-4-carboxylicacid,1,3-dimethyl-(9ci)78703-53-446 % similar 3,5-Dimethyl-4-isoxazolecarboxylic acid2510-36-344 % similar 4,6-Dimethylpyrimidine-5-carboxylic acid157335-93-844 % similar 2,5-Dimethylterephthalic acid6051-66-744 % similar 3-Methylpyrazine-2-carboxylic acid41110-28-543 % similar 4,6-Dimethylisophthalic acid2790-09-242 % similar 2-Methyl-3-furancarboxylic acid6947-94-042 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methyl-1,3-oxazole-5-carboxylic acid2510-32-9 3-Methyl-5-isoxazolecarboxylic acid3405-77-4 5-Methylisoxazole-4-carboxylic acid42831-50-5 3-Methyl-5-isoxazolecarboxylic acid4857-42-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook