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
- Formal charge
- 0
- Complexity
- 282
Related reactions
9 records
Compound notes
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