Basic information
- Standard SMILES
Fc1cc(-c2cc(-c3cccnc3)no2)ccc1OC(F)(F)F- InChIKey
VGQOFIBRGCWDMT-UHFFFAOYSA-N- Molecular formula
- C15H8F4N2O2
- Average molar mass
- 324.23 g/mol
- Monoisotopic mass
- 324.05219015
Names & identifiers
- Preferred name
- 5-(3-Fluoro-4-(trifluoromethoxy)phenyl)-3-(pyridin-3-yl)isoxazole
- IUPAC
- 5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridin-3-yl-1,2-oxazole
Names & synonyms
5-(3-Fluoro-4-(trifluoromethoxy)phenyl)-3-(pyridin-3-yl)isoxazoleSCHEMBL4318556
Database identifiers
- PubChem CID
- 44546160
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 48.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 396
Related reactions
1 records
Compound notes
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