1-[rel-(3R,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethan-1-one
1-[rel-(3R,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S826-5294 |
| Compound Name: | 1-[rel-(3R,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 357.41 |
| Molecular Formula: | C19 H23 N3 O4 |
| Smiles: | COc1cccc(CC(N2C[C@@H](CO)[C@@H](C2)c2nc(C3CC3)no2)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4003 |
| logD: | 2.4003 |
| logSw: | -2.6999 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.18 |
| InChI Key: | CXBSTQFBTSNJLZ-ZBFHGGJFSA-N |