4-{[rel-(3R,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[rel-(3R,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}benzonitrile
4-{[rel-(3R,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | S826-4964 |
| Compound Name: | 4-{[rel-(3R,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}benzonitrile |
| Molecular Weight: | 324.38 |
| Molecular Formula: | C18 H20 N4 O2 |
| Smiles: | C1CC1c1nc([C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2CO)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1815 |
| logD: | 0.0256 |
| logSw: | -2.5069 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.304 |
| InChI Key: | RYBJNRJPYSIORK-CVEARBPZSA-N |