Basic information
- Standard SMILES
Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCCCO)cn1- InChIKey
ACHBHNFIMNZOOZ-UHFFFAOYSA-N- Molecular formula
- C21H23N3O4
- Average molar mass
- 381.4 g/mol
Names & identifiers
- Preferred name
- N-(4-Hydroxy-butyl)-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-nicotinamide
- IUPAC
- N-(4-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
Names & synonyms
SCHEMBL2922438CHEMBL3681520ACHBHNFIMNZOOZ-UHFFFAOYSA-NBDBM133530US8846719, 220N-(4-Hydroxy-butyl)-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-nicotinamide
Database identifiers
- PubChem CID
- 68441983
- ChEMBL
CHEMBL3681520
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 473
Related reactions
6 records
Compound notes
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