2,4-Dimethyl-1,3-oxazole-5-carboxylic acid

C₆H₇NO₃CAS 2510-37-4141.13 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₆H₇NO₃
Molar mass: 141.13 g/mol
Exact mass: 141.0426 Da
logP: 0.99Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2510-37-4

SMILES

CC1=C(OC(=N1)C)C(=O)O

InChIKey

JLSFKHJNJFXGAB-UHFFFAOYSA-N

InChI

InChI=1S/C6H7NO3/c1-3-5(6(8)9)10-4(2)7-3/h1-2H3,(H,8,9)

Weigh it out

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

Names and synonyms

1 names

Dimethyl-1,3-oxazole-5-carboxylic acid

Work with 2,4-Dimethyl-1,3-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

4-Methyl-1,3-oxazole-5-carboxylic acid2510-32-950 % similar 2-Bromo-4-methyl-1,3-thiazole-5-carboxylic acid40003-41-642 % similar Trimethyloxazole20662-84-442 % similar 3-Methyl-1,2-oxazole-4-carboxylic acid17153-20-741 % similar Dimethyl-1,3-thiazole-5-carboxylic acid53137-27-241 % similar 4,6-Dimethylpyrimidine-5-carboxylic acid157335-93-840 % similar 3-Methylpyrazine-2-carboxylic acid41110-28-539 % similar 4-Methyl-1,2,3-thiadiazole-5-carboxylic acid18212-21-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl oxazole-5-carboxylate118994-89-1 2-Isocyanatoethyl acrylate13641-96-8 N-(2-Hydroxyethyl)maleimide1585-90-6 3-Methyl-5-isoxazoleacetic acid 9819668-85-0 Methyl 5-methyl-3-isoxazolecarboxylate19788-35-3 Methyl 5-amino-2-furoate22600-30-2 Ethyl oxazole-4-carboxylate23012-14-8 3,5-Dimethyl-4-isoxazolecarboxylic acid2510-36-3

Elsewhere

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