rel-(3R,4R)-1-{5-methyl-4-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-{5-methyl-4-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-{5-methyl-4-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S641-0199 |
| Compound Name: | rel-(3R,4R)-1-{5-methyl-4-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 398.42 |
| Molecular Formula: | C18 H22 N8 O3 |
| Smiles: | Cc1cnn(Cc2c(C(N3C[C@@H](C(N)=O)[C@@H](C3)c3nc(C)n[nH]3)=O)noc2C)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.7505 |
| logD: | -0.751 |
| logSw: | -1.3408 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.313 |
| InChI Key: | XYQDTKOHZUHTRR-ZIAGYGMSSA-N |