5-[3-nitro-4-(pyrrolidin-1-yl)phenyl]-3-(propan-2-yl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-[3-nitro-4-(pyrrolidin-1-yl)phenyl]-3-(propan-2-yl)-1,2,4-oxadiazole
5-[3-nitro-4-(pyrrolidin-1-yl)phenyl]-3-(propan-2-yl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D349-3600 |
| Compound Name: | 5-[3-nitro-4-(pyrrolidin-1-yl)phenyl]-3-(propan-2-yl)-1,2,4-oxadiazole |
| Molecular Weight: | 302.33 |
| Molecular Formula: | C15 H18 N4 O3 |
| Smiles: | CC(C)c1nc(c2ccc(c(c2)[N+]([O-])=O)N2CCCC2)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.6565 |
| logD: | 3.6565 |
| logSw: | -3.9792 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.514 |
| InChI Key: | IJLHNPSSIOKPKQ-UHFFFAOYSA-N |