2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB34-0491 |
| Compound Name: | 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 383.42 |
| Molecular Formula: | C20 H22 F N5 O2 |
| Smiles: | Cc1c(CC(N2C[C@@H](CF)[C@@H](C2)c2nc(c3ccccc3)n[nH]2)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.344 |
| logD: | 2.3396 |
| logSw: | -2.8444 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.144 |
| InChI Key: | QKZHHNIFRQJFCR-RDJZCZTQSA-N |