N-(4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,3-oxazol-2-yl}phenyl)but-2-ynamide
Chemical Structure Depiction of
N-(4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,3-oxazol-2-yl}phenyl)but-2-ynamide
N-(4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,3-oxazol-2-yl}phenyl)but-2-ynamide
Compound characteristics
| Compound ID: | T001-0571 |
| Compound Name: | N-(4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,3-oxazol-2-yl}phenyl)but-2-ynamide |
| Molecular Weight: | 320.35 |
| Molecular Formula: | C18 H16 N4 O2 |
| Smiles: | CC#CC(Nc1ccc(cc1)c1nc(Cn2cccn2)c(C)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5032 |
| logD: | 2.5032 |
| logSw: | -2.8086 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.033 |
| InChI Key: | FLQJUBOPXCFTJV-UHFFFAOYSA-N |