1-(2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-1-yl)but-2-yn-1-one
Chemical Structure Depiction of
1-(2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-1-yl)but-2-yn-1-one
1-(2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-1-yl)but-2-yn-1-one
Compound characteristics
| Compound ID: | T001-2214 |
| Compound Name: | 1-(2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-1-yl)but-2-yn-1-one |
| Molecular Weight: | 349.31 |
| Molecular Formula: | C17 H14 F3 N3 O2 |
| Smiles: | CC#CC(N1CCCC1c1nc(c2ccc(cc2)C(F)(F)F)no1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1977 |
| logD: | 4.1977 |
| logSw: | -4.1558 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.097 |
| InChI Key: | HNHGVEGEBUUNJC-ZDUSSCGKSA-N |