Ethyl 5-phenylisoxazole-3-carboxylate

C12H11NO3CAS 7063-99-2217.22 g/mol

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OOON
Ester

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 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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 5-Phenylisoxazole-3-carboxylic acid14441-90-853 % 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 2,5-furandicarboxylate53662-83-246 % similar Ethyl 6-chloropicolinate21190-89-646 % 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 4-Hydroxyquinoline-3-carboxylic acid ethyl ester26892-90-0 5-(3-Aminophenyl)furan-2-carboxylic acid methyl ester54023-06-2 Ethyl 3-cyano-3-phenylpyruvate6362-63-6 Indole-3-(4'-oxo)butyric acid835-45-0

Elsewhere

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