1-[rel-(3R,4R)-3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
1-[rel-(3R,4R)-3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S995-0093 |
| Compound Name: | 1-[rel-(3R,4R)-3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C24 H31 N3 O4 |
| Smiles: | CC(N1C[C@@H](COc2ccccc2)[C@@H](C1)C1CCN(CC1)C(c1c(C)noc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5952 |
| logD: | 2.5952 |
| logSw: | -2.6507 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.501 |
| InChI Key: | QCPKWKXMHNRAGK-IFMALSPDSA-N |