1-{2-[4-(dimethylamino)phenyl]-5-[(4-methyl-2-nitrophenoxy)methyl]-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{2-[4-(dimethylamino)phenyl]-5-[(4-methyl-2-nitrophenoxy)methyl]-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
1-{2-[4-(dimethylamino)phenyl]-5-[(4-methyl-2-nitrophenoxy)methyl]-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | G642-0359 |
| Compound Name: | 1-{2-[4-(dimethylamino)phenyl]-5-[(4-methyl-2-nitrophenoxy)methyl]-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one |
| Molecular Weight: | 398.42 |
| Molecular Formula: | C20 H22 N4 O5 |
| Smiles: | CC(N1C(c2ccc(cc2)N(C)C)OC(COc2ccc(C)cc2[N+]([O-])=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4612 |
| logD: | 3.4526 |
| logSw: | -3.8178 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.868 |
| InChI Key: | NBCHNUONSFYGEZ-HXUWFJFHSA-N |