2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{1-methyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl}ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{1-methyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl}ethan-1-one
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{1-methyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | SA50-0948 |
| Compound Name: | 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{1-methyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl}ethan-1-one |
| Molecular Weight: | 412.45 |
| Molecular Formula: | C20 H24 N6 O4 |
| Smiles: | Cc1c(CC(N2Cc3c(c4nc(C5CCOCC5)no4)nn(C)c3C2)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 1.2531 |
| logD: | 1.2531 |
| logSw: | -1.336 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 92.883 |
| InChI Key: | VNLRJJLIXUDLGZ-UHFFFAOYSA-N |