3-{(2S,4S)-4-(benzyloxy)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
3-{(2S,4S)-4-(benzyloxy)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
3-{(2S,4S)-4-(benzyloxy)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB29-0240 |
| Compound Name: | 3-{(2S,4S)-4-(benzyloxy)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 367.45 |
| Molecular Formula: | C20 H25 N5 O2 |
| Smiles: | Cc1c(CN2C[C@H](C[C@H]2c2nc(C)[nH]n2)OCc2ccccc2)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | 2.3707 |
| logD: | 2.2471 |
| logSw: | -2.5983 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.307 |
| InChI Key: | ZIBMIGXJTNDGNR-MJGOQNOKSA-N |