Basic information
- Standard SMILES
CCOC(=O)c1c(CCc2ccccc2)noc1C- InChIKey
GZOQRWBLRQLYQA-UHFFFAOYSA-N- Molecular formula
- C15H17NO3
- Average molar mass
- 259.3 g/mol
Names & identifiers
- Preferred name
- 3-Phenethyl-5-methyl-isoxazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 5-methyl-3-(2-phenylethyl)-1,2-oxazole-4-carboxylate
Names & synonyms
SCHEMBL11551455GZOQRWBLRQLYQA-UHFFFAOYSA-N3-phenethyl-5-methyl-isoxazole-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 53865739
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 289
Related reactions
3 records
Compound notes
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