1-{5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-2-(2-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-2-(2-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
1-{5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-2-(2-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | F076-1293 |
| Compound Name: | 1-{5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-2-(2-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one |
| Molecular Weight: | 391.38 |
| Molecular Formula: | C20 H17 N5 O4 |
| Smiles: | CC(N1C(c2ccccc2[N+]([O-])=O)OC(c2cc(c3ccc(C)cc3)n[nH]2)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1612 |
| logD: | 4.1612 |
| logSw: | -4.3023 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.822 |
| InChI Key: | KKDBDBNHIHKKIH-FQEVSTJZSA-N |