Basic information
- Standard SMILES
Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC(C)C(F)(F)F)cn1- InChIKey
AXSNSFLHODCXTA-UHFFFAOYSA-N- Molecular formula
- C20H18F3N3O3
- Average molar mass
- 405.4 g/mol
Names & identifiers
- Preferred name
- 6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-N-(2,2,2-trifluoro-1-methyl-ethyl)-nicotinamide
- IUPAC
- 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide
Names & synonyms
6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-N-(2,2,2-trifluoro-1-methyl-ethyl)-nicotinamideSCHEMBL2929083CHEMBL3681531BDBM133542US8846719, 234
Database identifiers
- PubChem CID
- 57521167
- ChEMBL
CHEMBL3681531
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 543
Related reactions
5 records
Compound notes
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