3-{4-[4-(3-propyl-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-propyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidine-1-carbonyl}benzonitrile
3-{4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S454-0535 |
| Compound Name: | 3-{4-[4-(3-propyl-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: | CCCc1nc(c2cn(C3CCN(CC3)C(c3cccc(C#N)c3)=O)nn2)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.2082 |
| logD: | 2.2082 |
| logSw: | -2.3532 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 92.617 |
| InChI Key: | UFBYEPWMAIGTBD-UHFFFAOYSA-N |