Basic information
- Standard SMILES
C[C@H](NC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1)C(F)(F)F- InChIKey
PIAFQDBMNFVESW-NSHDSACASA-N- Molecular formula
- C19H15ClF3N3O3
- Average molar mass
- 425.8 g/mol
Names & identifiers
- Preferred name
- 6-[3-(4-Chloro-phenyl)-isoxazol-4-ylmethoxy]-n-((s)-2,2,2-trifluoro-1-methyl-ethyl)-nicotinamide
- IUPAC
- 6-[[3-(4-chlorophenyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide
Names & synonyms
6-[3-(4-chloro-phenyl)-isoxazol-4-ylmethoxy]-n-((s)-2,2,2-trifluoro-1-methyl-ethyl)-nicotinamideSCHEMBL2931182CHEMBL3681633BDBM133645US8846719, 357
Database identifiers
- PubChem CID
- 68445495
- ChEMBL
CHEMBL3681633
Properties
Computed structural properties
- XLogP
- 4.2
- 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
- 547
Related reactions
5 records
Compound notes
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