3-{3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-1,2,3-triazol-1-yl]piperidine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-1,2,3-triazol-1-yl]piperidine-1-carbonyl}benzonitrile
3-{3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-1,2,3-triazol-1-yl]piperidine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S458-0043 |
| Compound Name: | 3-{3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-1,2,3-triazol-1-yl]piperidine-1-carbonyl}benzonitrile |
| Molecular Weight: | 363.38 |
| Molecular Formula: | C18 H17 N7 O2 |
| Smiles: | Cc1nc(c2cn(C3CCCN(C3)C(c3cccc(C#N)c3)=O)nn2)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9099 |
| logD: | 0.9099 |
| logSw: | -1.4776 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 90.788 |
| InChI Key: | NJEVCTUZMZZVFV-HNNXBMFYSA-N |