Basic information
- Standard SMILES
O=C(c1cnoc1Cc1ccccc1)N1CCC(c2cccnc2)C1- InChIKey
YDEBOKCUKAXFOU-UHFFFAOYSA-N- Molecular formula
- C20H19N3O2
- Average molar mass
- 333.4 g/mol
Names & identifiers
- Preferred name
- 3-{1-[(5-Benzylisoxazol-4-yl)carbonyl]pyrrolidin-3-yl}pyridine
- IUPAC
- (5-benzyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
Names & synonyms
SCHEMBL3551567YDEBOKCUKAXFOU-UHFFFAOYSA-N3-{1-[(5-benzylisoxazol-4-yl)carbonyl]pyrrolidin-3-yl}pyridine
Database identifiers
- PubChem CID
- 59170231
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 452
Related reactions
2 records
Compound notes
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