3-(4-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}piperidine-1-carbonyl)benzonitrile
Chemical Structure Depiction of
3-(4-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}piperidine-1-carbonyl)benzonitrile
3-(4-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}piperidine-1-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | S454-0371 |
| Compound Name: | 3-(4-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}piperidine-1-carbonyl)benzonitrile |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C20 H21 N7 O2 |
| Smiles: | CC(C)c1nc(c2cn(C3CCN(CC3)C(c3cccc(C#N)c3)=O)nn2)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.2117 |
| logD: | 2.2117 |
| logSw: | -2.3872 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 91.626 |
| InChI Key: | MLFSADADPTZVAE-UHFFFAOYSA-N |