2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S988-0179 |
| Compound Name: | 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C21 H29 N5 O4 |
| Smiles: | Cc1c(CC(N2C[C@H]3CN(C[C@]3(C2)c2nc(C)no2)C2CCOCC2)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9176 |
| logD: | -4.8962 |
| logSw: | -0.9545 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.076 |
| InChI Key: | WDHNUJWQHWWTFD-IERDGZPVSA-N |