5-methyl-4-[(4-methyl-1H-pyrazol-1-yl)methyl]-N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
5-methyl-4-[(4-methyl-1H-pyrazol-1-yl)methyl]-N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-1,2-oxazole-3-carboxamide
5-methyl-4-[(4-methyl-1H-pyrazol-1-yl)methyl]-N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | S233-2052 |
| Compound Name: | 5-methyl-4-[(4-methyl-1H-pyrazol-1-yl)methyl]-N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C22 H31 N5 O3 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CCC)=O)CNC(c1c(Cn2cc(C)cn2)c(C)on1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0122 |
| logD: | 2.0121 |
| logSw: | -2.1834 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.931 |
| InChI Key: | USUHZJATRLAEMT-GCJKJVERSA-N |