N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
Chemical Structure Depiction of
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | T002-4687 |
| Compound Name: | N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide |
| Molecular Weight: | 365.43 |
| Molecular Formula: | C21 H23 N3 O3 |
| Smiles: | CC#CC(N1CCC(CC1)CNC(c1c(c2cccc(C)c2)ocn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8253 |
| logD: | 2.8253 |
| logSw: | -3.2086 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.88 |
| InChI Key: | LJDKRKHHJJMBMB-UHFFFAOYSA-N |