Ethyl oxazole-4-carboxylate

C₆H₇NO₃CAS 23012-14-8141.13 g/mol

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Properties

Molecular formula: C₆H₇NO₃
Molar mass: 141.13 g/mol
Exact mass: 141.0426 Da
Melting point: 47–49 °C
Boiling point: 101–102 °C (at 14 Torr)
logP: 0.85Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

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

23012-14-8

SMILES

CCOC(=O)c1cocn1

InChIKey

UBESIXFCSFYQNK-UHFFFAOYSA-N

InChI

InChI=1S/C6H7NO3/c1-2-10-6(8)5-3-9-4-7-5/h3-4H,2H2,1H3

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Names and synonyms

3 names

4-Oxazolecarboxylic acid, ethyl ester
Ethyl 1,3-oxazole-4-carboxylate
4-(Ethoxycarbonyl)oxazole

Work with Ethyl oxazole-4-carboxylate

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

Diethyl 2,6-pyridinedicarboxylate15658-60-353 % similar Ethyl 1,3-thiazole-4-carboxylate14527-43-653 % similar Ethyl 2-pyridinecarboxylate2524-52-953 % similar Ethyl 2-amino-1,3-oxazole-4-carboxylate177760-52-053 % similar Ethyl 2-chlorooxazole-4-carboxylate460081-18-953 % similar Ethyl 2-bromo-1,3-oxazole-4-carboxylate460081-20-353 % similar 2,5-Pyridinedicarboxylic acid diethyl ester5552-44-351 % similar Ethyl pyrimidine-4-carboxylate62846-82-651 % 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 3,5-Dimethyl-4-isoxazolecarboxylic acid2510-36-3 2,4-Dimethyl-1,3-oxazole-5-carboxylic acid2510-37-4

Elsewhere

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