Basic information
- Standard SMILES
CC(C)(CO)CNC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1- InChIKey
WSTGDIKDWSHKTK-UHFFFAOYSA-N- Molecular formula
- C21H22ClN3O4
- Average molar mass
- 415.9 g/mol
Names & identifiers
- Preferred name
- 6-[3-(4-Chloro-phenyl)-isoxazol-4-ylmethoxy]-N-(3-hydroxy-2,2-dimethyl-propyl)-nicotinamide
- IUPAC
- 6-[[3-(4-chlorophenyl)-1,2-oxazol-4-yl]methoxy]-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-3-carboxamide
Names & synonyms
SCHEMBL2927922CHEMBL3681626WSTGDIKDWSHKTK-UHFFFAOYSA-NBDBM133638US8846719, 3506-[3-(4-Chloro-phenyl)-isoxazol-4-ylmethoxy]-N-(3-hydroxy-2,2-dimethyl-propyl)-nicotinamide
Database identifiers
- PubChem CID
- 68444175
- ChEMBL
CHEMBL3681626
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 528
Related reactions
5 records
Linked notes
Loading…