1-{3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-2-(3-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-{3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-2-(3-methylphenoxy)ethan-1-one
1-{3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S460-0907 |
| Compound Name: | 1-{3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C20 H22 N6 O3 |
| Smiles: | Cc1cccc(c1)OCC(N1CCC(C1)n1cc(c2nc(C3CC3)no2)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3292 |
| logD: | 2.3292 |
| logSw: | -2.4862 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 82.093 |
| InChI Key: | LOSNMKZHBLAWCR-OAHLLOKOSA-N |