5-[rel-(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-1344 |
| Compound Name: | 5-[rel-(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 293.34 |
| Molecular Formula: | C14 H20 F N5 O |
| Smiles: | Cc1c(CN2C[C@@H](CF)[C@@H](C2)c2nc(C)n[nH]2)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7205 |
| logD: | -3.0939 |
| logSw: | -1.6312 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.64 |
| InChI Key: | KEKROVOGMQPLBC-AAEUAGOBSA-N |