6-[3-(3-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-isopropyl-nicotinamide
Basic information
- Standard SMILES
Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)NC(C)C)cn1- InChIKey
IZIKZWGTEIYWKS-UHFFFAOYSA-N- Molecular formula
- C20H20FN3O3
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.14886967
Names & identifiers
- Preferred name
- 6-[3-(3-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-isopropyl-nicotinamide
- IUPAC
- 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide
Names & synonyms
SCHEMBL2931306CHEMBL3676540IZIKZWGTEIYWKS-UHFFFAOYSA-NBDBM133406US8846719, 916-[3-(3-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-isopropyl-nicotinamide
Database identifiers
- PubChem CID
- 57520177
- ChEMBL
CHEMBL3676540
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 493
Related reactions
5 records
Compound notes
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