6-[3-(4-Chloro-phenyl)-isoxazol-4-ylmethoxy]-N-(3-hydroxy-2,2-dimethyl-propyl)-nicotinamide

HCID 68444175

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

Related reactions

5 records

Linked notes

Loading…