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Basic information
- Standard SMILES
Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1- InChIKey
YJMBMXMMKOPBLD-UHFFFAOYSA-N- Molecular formula
- C19H15ClF3N3O3
- Average molar mass
- 425.8 g/mol
- Monoisotopic mass
- 425.0754035
Names & identifiers
- Preferred name
- 6-[3-(4-Chloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-(2,2,2-trifluoro-ethyl)-nicotinamide
- IUPAC
- 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
Names & synonyms
6-[3-(4-Chloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-(2,2,2-trifluoro-ethyl)-nicotinamideSCHEMBL2929222CHEMBL3681423BDBM133431US8846719, 117
Database identifiers
- PubChem CID
- 42629331
- ChEMBL
CHEMBL3681423
Properties
Computed structural propertiesFilling in
- 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
6 records
Compound notes
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