2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester

HCID 538822

Basic information

Standard SMILES
CCOC(=O)C1=NOC(c2ccccc2)C1
InChIKey
YNZGZAJXHXGDBF-UHFFFAOYSA-N
Molecular formula
C12H13NO3
Average molar mass
219.24 g/mol

Names & identifiers

Preferred name
2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester
IUPAC
ethyl 5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate

Names & synonyms

ethyl 5-phenyl-4,5-dihydroisoxazole-3-carboxylate2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl esterSCHEMBL3413883-ethoxycarbonyl-5-phenyl-4,5-dihydroisoxazoleEthyl 5-phenyl-4,5-dihydro-3-isoxazolecarboxylateethyl 5-phenyl-4,5-dihydroisoxazol-3-ylcarboxylateEthyl 5-phenyl-4,5-dihydro-3-isoxazolecarboxylate #5-phenyl-4,5-dihydro-isoxazole-3-carboxylic acid ethyl ester3-Isoxazolecarboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester

Database identifiers

PubChem CID
538822
Nikkaji
J113.293H

Properties

Computed structural properties

XLogP
2
Topological polar surface area
47.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
16

Related reactions

9 records

Compound notes

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