2-methyl-1-{4-[rel-(3R,4R)-1-(4-methyl-1,3-oxazole-5-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}propan-1-one
Chemical Structure Depiction of
2-methyl-1-{4-[rel-(3R,4R)-1-(4-methyl-1,3-oxazole-5-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}propan-1-one
2-methyl-1-{4-[rel-(3R,4R)-1-(4-methyl-1,3-oxazole-5-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S995-0342 |
| Compound Name: | 2-methyl-1-{4-[rel-(3R,4R)-1-(4-methyl-1,3-oxazole-5-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C25 H33 N3 O4 |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(C[C@H]1COc1ccccc1)C(c1c(C)nco1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2057 |
| logD: | 3.2057 |
| logSw: | -3.1943 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.91 |
| InChI Key: | RYFYBXUMHJDMHS-UNMCSNQZSA-N |