Ethyl 5-phenylisoxazole-3-carboxylate

C₁₂H₁₁NO₃CAS 7063-99-2217.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₁NO₃
Molar mass: 217.22 g/mol
Exact mass: 217.0739 Da
Melting point: 52 °C
logP: 2.52Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Identifiers

CAS number

7063-99-2

SMILES

CCOC(=O)c1cc(-c2ccccc2)on1

InChIKey

DSUXKYCDKKYGKX-UHFFFAOYSA-N

InChI

InChI=1S/C12H11NO3/c1-2-15-12(14)10-8-11(16-13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3

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Names and synonyms

3 names

3-Isoxazolecarboxylic acid, 5-phenyl-, ethyl ester
3-Ethoxycarbonyl-5-phenylisoxazole
Ethyl 5-phenylisoxazle-3-carboxylate

Work with Ethyl 5-phenylisoxazole-3-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

Ethyl 5-methylisoxazole-3-carboxylate3209-72-160 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-351 % similar Ethyl 2-pyridinecarboxylate2524-52-951 % similar Ethyl benzoate93-89-050 % similar Diethyl phthalate84-66-248 % similar Diethyl 2,4-pyridinedicarboxylate41438-38-446 % similar 1,3-Diethyl 1,3-benzenedicarboxylate636-53-345 % similar Ethyl 2-amino-5-phenylthiophene-3-carboxylate4815-34-345 % similar

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

Same formula

2-Phenyl-5-methyloxazole-4-acetic acid107367-98-6 Methyl N-(7-hydroxy-1-naphthalenyl)carbamate132-63-8 Oxazolone15646-46-5 Ethyl 3-cyano-3-phenylpyruvate6362-63-6

Elsewhere

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