1-{rel-(3R,4R)-3-(methoxymethyl)-4-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl}-3-(2-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-{rel-(3R,4R)-3-(methoxymethyl)-4-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl}-3-(2-methoxyphenyl)propan-1-one
1-{rel-(3R,4R)-3-(methoxymethyl)-4-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl}-3-(2-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | SB54-0314 |
| Compound Name: | 1-{rel-(3R,4R)-3-(methoxymethyl)-4-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl}-3-(2-methoxyphenyl)propan-1-one |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C21 H29 N3 O4 |
| Smiles: | CC(C)c1nnc([C@@H]2CN(C[C@H]2COC)C(CCc2ccccc2OC)=O)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8856 |
| logD: | 2.8856 |
| logSw: | -3.2686 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.162 |
| InChI Key: | SPWWGOMPOOSLRL-DLBZAZTESA-N |