N-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
N-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | SB18-0188 |
| Compound Name: | N-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide |
| Molecular Weight: | 388.47 |
| Molecular Formula: | C19 H28 N6 O3 |
| Smiles: | CC(C)CC(N[C@H]1C[C@@H](c2nc(C)n[nH]2)N(C1)C(Cc1c(C)noc1C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3827 |
| logD: | 1.382 |
| logSw: | -1.7044 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.793 |
| InChI Key: | ZKFRXIIQTOCBRQ-ZBFHGGJFSA-N |