3-(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidine-1-carbonyl)benzonitrile
Chemical Structure Depiction of
3-(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidine-1-carbonyl)benzonitrile
3-(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidine-1-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | S460-0699 |
| Compound Name: | 3-(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidine-1-carbonyl)benzonitrile |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C19 H19 N7 O2 |
| Smiles: | CC(C)c1nc(c2cn(C3CCN(C3)C(c3cccc(C#N)c3)=O)nn2)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7135 |
| logD: | 1.7135 |
| logSw: | -1.8469 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 91.926 |
| InChI Key: | GTHVKDANMCYKCQ-OAHLLOKOSA-N |