2-(4-ethoxyphenyl)-1-[rel-(3R,4R)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-ethoxyphenyl)-1-[rel-(3R,4R)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethan-1-one
2-(4-ethoxyphenyl)-1-[rel-(3R,4R)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S826-3558 |
| Compound Name: | 2-(4-ethoxyphenyl)-1-[rel-(3R,4R)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 345.4 |
| Molecular Formula: | C18 H23 N3 O4 |
| Smiles: | CCOc1ccc(CC(N2C[C@@H](CO)[C@@H](C2)c2nc(C)no2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6416 |
| logD: | 1.6416 |
| logSw: | -2.3677 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.121 |
| InChI Key: | WHCNIGPFUSCTCK-GOEBONIOSA-N |