Basic information
- Standard SMILES
Cc1noc(-c2ccccc2)c1C(=O)N1CCCC1Cc1cccnc1- InChIKey
JSYIASNKQNJMER-UHFFFAOYSA-N- Molecular formula
- C21H21N3O2
- Average molar mass
- 347.4 g/mol
Names & identifiers
- Preferred name
- 3-({1-[(3-Methyl-5-phenylisoxazol-4-yl)carbonyl]pyrrolidin-2-yl}methyl)pyridine
- IUPAC
- (3-methyl-5-phenyl-1,2-oxazol-4-yl)-[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
Names & synonyms
SCHEMBL3545920JSYIASNKQNJMER-UHFFFAOYSA-N3-({1-[(3-methyl-5-phenylisoxazol-4-yl)carbonyl]pyrrolidin-2-yl}methyl)pyridine
Database identifiers
- PubChem CID
- 59170244
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 480
Related reactions
2 records
Compound notes
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