6-[3-(2-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-(2,2,2-trifluoro-ethyl)-nicotinamide

HCID 57520101
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Basic information

Standard SMILES
Cc1onc(-c2ccccc2F)c1COc1ccc(C(=O)NCC(F)(F)F)cn1
InChIKey
BHEAJYIVALSJBE-UHFFFAOYSA-N
Molecular formula
C19H15F4N3O3
Average molar mass
409.3 g/mol

Names & identifiers

Preferred name
6-[3-(2-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-(2,2,2-trifluoro-ethyl)-nicotinamide
IUPAC
6-[[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

Names & synonyms

6-[3-(2-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-(2,2,2-trifluoro-ethyl)-nicotinamideSCHEMBL2929303CHEMBL3676534BDBM133399US8846719, 84

Database identifiers

PubChem CID
57520101
ChEMBL
CHEMBL3676534

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
77.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
29

Related reactions

6 records
New reaction record

Compound notes

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