Methyl 5-methyl-3-isoxazolecarboxylate

C₆H₇NO₃CAS 19788-35-3141.13 g/mol

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Properties

Molecular formula: C₆H₇NO₃
Molar mass: 141.13 g/mol
Exact mass: 141.0426 Da
Melting point: 89–90 °C
logP: 0.77Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

19788-35-3

SMILES

COC(=O)c1cc(C)on1

InChIKey

MVHHQOCEOUNTID-UHFFFAOYSA-N

InChI

InChI=1S/C6H7NO3/c1-4-3-5(7-10-4)6(8)9-2/h3H,1-2H3

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Names and synonyms

4 names

3-Isoxazolecarboxylic acid, 5-methyl-, methyl ester
Premnazole
5-Methylisoxazole-3-carboxylic acid methyl ester
Methyl 5-methylisoxazole-3-carboxylate

Work with Methyl 5-methyl-3-isoxazolecarboxylate

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

Ethyl 5-methylisoxazole-3-carboxylate3209-72-164 % similar 3-Methyl-5-isoxazolecarboxylic acid3405-77-454 % similar 5-Methylisoxazole-3-carbonyl chloride39499-34-854 % similar Dimethyl 4-bromopyridine-2,6-dicarboxylate162102-79-646 % similar Methyl 5-methyl-2-furancarboxylate2527-96-046 % similar 2,6-Dimethyl 4-chloropyridine-2,6-dicarboxylate5371-70-046 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-846 % similar Dimethyl 1H-pyrazole-3,5-dicarboxylate4077-76-345 % 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-amino-2-furoate22600-30-2 Ethyl oxazole-4-carboxylate23012-14-8 3,5-Dimethyl-4-isoxazolecarboxylic acid2510-36-3 2,4-Dimethyl-1,3-oxazole-5-carboxylic acid2510-37-4

Elsewhere

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