N-{[rel-(3R,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-yl]methyl}benzamide
Chemical Structure Depiction of
N-{[rel-(3R,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-yl]methyl}benzamide
N-{[rel-(3R,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | SB53-0229 |
| Compound Name: | N-{[rel-(3R,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-yl]methyl}benzamide |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C21 H23 N5 O4 |
| Smiles: | Cc1c(C(N2C[C@H](CNC(c3ccccc3)=O)[C@H](C2)c2nnc(C)o2)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7911 |
| logD: | 0.7911 |
| logSw: | -2.0528 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.315 |
| InChI Key: | UGRJKXAIZMWKNJ-IRXDYDNUSA-N |