3-methyl-N-[(3S,5S)-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]butanamide
Chemical Structure Depiction of
3-methyl-N-[(3S,5S)-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]butanamide
3-methyl-N-[(3S,5S)-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]butanamide
Compound characteristics
| Compound ID: | SB18-0147 |
| Compound Name: | 3-methyl-N-[(3S,5S)-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]butanamide |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C23 H28 N6 O3 |
| Smiles: | CC(C)CC(N[C@H]1C[C@@H](c2nc(C)n[nH]2)N(C1)C(c1c(c2cccc(C)c2)ocn1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.632 |
| logD: | 2.6314 |
| logSw: | -2.8672 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.119 |
| InChI Key: | YIUGYKCMNGTWAG-MSOLQXFVSA-N |