1-{rel-(3R,4R)-3-(hydroxymethyl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3,3-dimethylbutan-1-one
Chemical Structure Depiction of
1-{rel-(3R,4R)-3-(hydroxymethyl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3,3-dimethylbutan-1-one
1-{rel-(3R,4R)-3-(hydroxymethyl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3,3-dimethylbutan-1-one
Compound characteristics
| Compound ID: | S826-7089 |
| Compound Name: | 1-{rel-(3R,4R)-3-(hydroxymethyl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3,3-dimethylbutan-1-one |
| Molecular Weight: | 344.41 |
| Molecular Formula: | C18 H24 N4 O3 |
| Smiles: | CC(C)(C)CC(N1C[C@@H](CO)[C@@H](C1)c1nc(c2ccncc2)no1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.412 |
| logD: | 2.4119 |
| logSw: | -2.5283 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.813 |
| InChI Key: | AHFQQLLKULGNRA-UONOGXRCSA-N |