Basic information
- Standard SMILES
CCOC(=O)c1c(-c2ccccc2)noc1C1CC1- InChIKey
MZOACOBWYGVVED-UHFFFAOYSA-N- Molecular formula
- C15H15NO3
- Average molar mass
- 257.28 g/mol
Names & identifiers
- Preferred name
- 5-Cyclopropyl-3-phenyl-isoxazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 5-cyclopropyl-3-phenyl-1,2-oxazole-4-carboxylate
Names & synonyms
SCHEMBL1930933MZOACOBWYGVVED-UHFFFAOYSA-N5-Cyclopropyl-3-phenyl-isoxazole-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 22309079
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Related reactions
9 records
Compound notes
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