3-[(4-nitrophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Chemical Structure Depiction of
3-[(4-nitrophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
3-[(4-nitrophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | V028-4225 |
| Compound Name: | 3-[(4-nitrophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole |
| Molecular Weight: | 365.27 |
| Molecular Formula: | C16 H10 F3 N3 O4 |
| Smiles: | C(c1nc(c2ccccc2C(F)(F)F)on1)Oc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8884 |
| logD: | 3.8884 |
| logSw: | -4.2761 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.515 |
| InChI Key: | XYYTXAKBXXXESI-UHFFFAOYSA-N |