[rel-(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](4-methyl-1,3-oxazol-5-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](4-methyl-1,3-oxazol-5-yl)methanone
[rel-(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](4-methyl-1,3-oxazol-5-yl)methanone
Compound characteristics
| Compound ID: | SC53-0672 |
| Compound Name: | [rel-(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](4-methyl-1,3-oxazol-5-yl)methanone |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C22 H25 N5 O3 |
| Smiles: | Cc1c(C(N2CC[C@H]3CN(Cc4ccccc4)C[C@]3(C2)c2nc(C)on2)=O)ocn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0254 |
| logD: | -0.5247 |
| logSw: | -2.1317 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.333 |
| InChI Key: | GTUPVTYUGKKQOE-AVRDEDQJSA-N |