Basic information
- Standard SMILES
CC(C)C(CN1CCCC1)C(=O)c1cc(-c2ccccc2)no1- InChIKey
YTDHLKZKPCHDMI-UHFFFAOYSA-N- Molecular formula
- C19H24N2O2
- Average molar mass
- 312.4 g/mol
Names & identifiers
- Preferred name
- 3-Phenyl-5-{2-(1-pyrrolidinylmethyl)-3-methylbutyryl}isoxazole
- IUPAC
- 3-methyl-1-(3-phenyl-1,2-oxazol-5-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one
Names & synonyms
SCHEMBL8880381YTDHLKZKPCHDMI-UHFFFAOYSA-N3-phenyl-5-{2-(1-pyrrolidinylmethyl)-3-methylbutyryl}-isoxazole3-phenyl-5-{2-(1-pyrrolidinylmethyl)-3-methylbutyryl}isoxazole
Database identifiers
- PubChem CID
- 19976918
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
Related reactions
4 records
Compound notes
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