N-[(3S,5S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[(3S,5S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB18-0270 |
| Compound Name: | N-[(3S,5S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C19 H26 N6 O4 |
| Smiles: | Cc1c(C(N2C[C@H](C[C@H]2c2nc(C)n[nH]2)NC(C2CCOCC2)=O)=O)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | 0.0281 |
| logD: | 0.0274 |
| logSw: | -0.9476 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.363 |
| InChI Key: | YCLNYXBMFFQOLE-CABCVRRESA-N |