N-(1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}pyrrolidin-3-yl)but-2-ynamide
Chemical Structure Depiction of
N-(1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}pyrrolidin-3-yl)but-2-ynamide
N-(1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}pyrrolidin-3-yl)but-2-ynamide
Compound characteristics
| Compound ID: | T002-2015 |
| Compound Name: | N-(1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}pyrrolidin-3-yl)but-2-ynamide |
| Molecular Weight: | 375.81 |
| Molecular Formula: | C17 H18 Cl N5 O3 |
| Smiles: | CC#CC(NC1CCN(C1)C(c1c(Cn2cc(cn2)[Cl])c(C)on1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2575 |
| logD: | 1.2575 |
| logSw: | -2.4118 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.928 |
| InChI Key: | FXEXWRHWGKCOKA-CYBMUJFWSA-N |