1-[2,2-dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[2,2-dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[2,2-dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 5660-0184 |
| Compound Name: | 1-[2,2-dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 277.28 |
| Molecular Formula: | C13 H15 N3 O4 |
| Smiles: | CC(N1C(C)(C)OC(c2ccc(C)c(c2)[N+]([O-])=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2293 |
| logD: | 2.2293 |
| logSw: | -2.6278 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.373 |
| InChI Key: | MQTHLODMWLPNBE-UHFFFAOYSA-N |