1-[rel-(3R,4R)-3-(methoxymethyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(methoxymethyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethan-1-one
1-[rel-(3R,4R)-3-(methoxymethyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB54-0131 |
| Compound Name: | 1-[rel-(3R,4R)-3-(methoxymethyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethan-1-one |
| Molecular Weight: | 329.4 |
| Molecular Formula: | C18 H23 N3 O3 |
| Smiles: | Cc1cccc(CC(N2C[C@@H](COC)[C@@H](C2)c2nnc(C)o2)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1582 |
| logD: | 2.1582 |
| logSw: | -2.7405 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.76 |
| InChI Key: | WYVWTSMKRJOVPM-JKSUJKDBSA-N |