5-[rel-(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-phenyl-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-phenyl-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-phenyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0454 |
| Compound Name: | 5-[rel-(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole |
| Molecular Weight: | 355.41 |
| Molecular Formula: | C19 H22 F N5 O |
| Smiles: | Cc1c(CN2C[C@@H](CF)[C@@H](C2)c2nc(c3ccccc3)n[nH]2)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5876 |
| logD: | -0.6658 |
| logSw: | -2.9417 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.755 |
| InChI Key: | RLKMWHBNYBMNBC-RDJZCZTQSA-N |