2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S564-0456 |
| Compound Name: | 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C21 H25 N5 O2 |
| Smiles: | Cc1c(CC(N2CCC(CC2)Cc2nnc(c3ccccc3)[nH]2)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.7637 |
| logD: | 2.7279 |
| logSw: | -3.1123 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.901 |
| InChI Key: | ZFXCGCMDJHSMJA-UHFFFAOYSA-N |