N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-3,5-dimethyl-1,2-oxazole-4-carboxamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-3,5-dimethyl-1,2-oxazole-4-carboxamide
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-3,5-dimethyl-1,2-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | S639-0447 |
| Compound Name: | N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-3,5-dimethyl-1,2-oxazole-4-carboxamide |
| Molecular Weight: | 356.47 |
| Molecular Formula: | C20 H28 N4 O2 |
| Smiles: | Cc1c(C(N[C@@H]2CN(Cc3ccccc3)C[C@H]2CN(C)C)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2459 |
| logD: | -0.8207 |
| logSw: | -1.8885 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.466 |
| InChI Key: | FUEQJTQCDOMRDH-ROUUACIJSA-N |