5-methyl-N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
5-methyl-N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
5-methyl-N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | S233-2060 |
| Compound Name: | 5-methyl-N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C24 H31 N3 O4 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CCC)=O)CNC(c1c(COc2ccccc2)c(C)on1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2897 |
| logD: | 3.2897 |
| logSw: | -3.4406 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.653 |
| InChI Key: | CGSHPRDSYFHODC-YKSBVNFPSA-N |