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Basic information
- Standard SMILES
Cc1onc(-c2cccnc2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1- InChIKey
MFFJBQJTKAXDHI-UHFFFAOYSA-N- Molecular formula
- C18H15F3N4O3
- Average molar mass
- 392.3 g/mol
- Monoisotopic mass
- 392.10962484
Names & identifiers
- Preferred name
- 6-(5-Methyl-3-pyridin-3-yl-isoxazol-4-ylmethoxy)-N-(2,2,2-trifluoro-ethyl)-nicotinamide
- IUPAC
- 6-[(5-methyl-3-pyridin-3-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
Names & synonyms
6-(5-Methyl-3-pyridin-3-yl-isoxazol-4-ylmethoxy)-N-(2,2,2-trifluoro-ethyl)-nicotinamideSCHEMBL2930831CHEMBL3681460BDBM133468US8846719, 155
Database identifiers
- PubChem CID
- 68445331
- ChEMBL
CHEMBL3681460
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 523
Related reactions
5 records
Compound notes
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