Basic information
- Standard SMILES
Cc1onc(-c2ccc(F)c(F)c2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1- InChIKey
HBCOCAXKHSCNCW-UHFFFAOYSA-N- Molecular formula
- C21H21F2N3O4
- Average molar mass
- 417.4 g/mol
- Monoisotopic mass
- 417.15001248
Names & identifiers
- Preferred name
- 6-[3-(3,4-Difluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-(2-hydroxy-1,1-dimethyl-ethyl)-nicotinamide
- IUPAC
- 6-[[3-(3,4-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
Names & synonyms
SCHEMBL2922444CHEMBL3681564HBCOCAXKHSCNCW-UHFFFAOYSA-NBDBM133575US8846719, 2676-[3-(3,4-Difluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-(2-hydroxy-1,1-dimethyl-ethyl)-nicotinamide
Database identifiers
- PubChem CID
- 68441986
- ChEMBL
CHEMBL3681564
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 582
Related reactions
5 records
Compound notes
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