N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
Chemical Structure Depiction of
N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | SB75-0228 |
| Compound Name: | N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C22 H25 N5 O5 S |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(C1)S(C)(=O)=O)c1nc(C)no1)NC(c1c(c2cccc(C)c2)ocn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9016 |
| logD: | 1.9016 |
| logSw: | -2.7238 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.306 |
| InChI Key: | LHCJQMZATMEHRY-JLHGSKIFSA-N |