1-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}but-2-yn-1-one
1-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T001-0594 |
| Compound Name: | 1-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}but-2-yn-1-one |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C17 H17 N3 O3 |
| Smiles: | CC#CC(N1CCCC1c1nc(c2ccc(cc2)OC)no1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3073 |
| logD: | 3.3073 |
| logSw: | -3.2644 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.64 |
| InChI Key: | FJLLSRRBLUNMQU-AWEZNQCLSA-N |