rel-(3aR,6aR)-3a-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}octahydrocyclopenta[c]pyrrole
Chemical Structure Depiction of
rel-(3aR,6aR)-3a-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}octahydrocyclopenta[c]pyrrole
rel-(3aR,6aR)-3a-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}octahydrocyclopenta[c]pyrrole
Compound characteristics
| Compound ID: | SB55-0548 |
| Compound Name: | rel-(3aR,6aR)-3a-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}octahydrocyclopenta[c]pyrrole |
| Molecular Weight: | 357.5 |
| Molecular Formula: | C20 H31 N5 O |
| Smiles: | [H][C@@]12CCC[C@]2(CN(Cc2cnn(c2)C(C)C)C1)c1nc(CC(C)C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5968 |
| logD: | -4.125 |
| logSw: | -3.5653 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.795 |
| InChI Key: | KXSLKFOILCOXPN-PXNSSMCTSA-N |