1-[rel-(3aR,6aR)-5-(cyclopropanecarbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-(cyclopropanecarbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
1-[rel-(3aR,6aR)-5-(cyclopropanecarbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | S988-0680 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-(cyclopropanecarbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C20 H25 N5 O4 |
| Smiles: | Cc1c(CC(N2C[C@H]3CN(C[C@]3(C2)c2nc(C)no2)C(C2CC2)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0034 |
| logD: | 1.0034 |
| logSw: | -1.0896 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.053 |
| InChI Key: | SHBVARTWWBVVRS-QRWLVFNGSA-N |