Basic information
- Standard SMILES
O=C(O)c1c(-c2ccccc2)noc1CCc1ccccc1- InChIKey
SINPQPWYZJZLAH-UHFFFAOYSA-N- Molecular formula
- C18H15NO3
- Average molar mass
- 293.3 g/mol
Names & identifiers
- Preferred name
- 3-Phenyl-5-(2-phenylethyl)isoxazole-4-carboxylic acid
- IUPAC
- 3-phenyl-5-(2-phenylethyl)-1,2-oxazole-4-carboxylic acid
Names & synonyms
SCHEMBL6767646SINPQPWYZJZLAH-UHFFFAOYSA-N3-Phenyl-5-(2-phenylethyl)isoxazole-4-carboxylic acid
Database identifiers
- PubChem CID
- 23447906
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 361
Related reactions
6 records
Compound notes
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