Basic information
- Standard SMILES
O=C(OCn1c(-c2cc(C(F)(F)F)ccn2)noc1=O)c1cccc(F)c1- InChIKey
YVBPYHCUTDJIFL-UHFFFAOYSA-N- Molecular formula
- C16H9F4N3O4
- Average molar mass
- 383.25 g/mol
Names & identifiers
- Preferred name
- [3-(4-Trifluoromethylpyridin-2-yl)-1,2,4-oxadiazol-5-on-4-yl]methyl 3-fluorobenzoate
- IUPAC
- [5-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-4-yl]methyl 3-fluorobenzoate
Names & synonyms
[3-(4-trifluoromethylpyridin-2-yl)-1,2,4-oxadiazol-5-on-4-yl]methyl 3-fluorobenzoateSCHEMBL2338886
Database identifiers
- PubChem CID
- 59570341
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 613
Related reactions
2 records
Compound notes
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