N-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB18-0541 |
| Compound Name: | N-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 380.45 |
| Molecular Formula: | C20 H24 N6 O2 |
| Smiles: | CC(N[C@H]1C[C@@H](c2nc(c3ccccc3)n[nH]2)N(Cc2c(C)noc2C)C1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.8898 |
| logD: | 1.8648 |
| logSw: | -2.3967 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.799 |
| InChI Key: | HJWGHZVTSQDDEU-FUHWJXTLSA-N |