0000000000204872
AUTHOR
Mohammed Abadleh
4-[5-(4-Fluorophenyl)-3-isopropylisoxazol-4-yl]pyridin-2(1H)-one
The crystal structure of the title compound, C17H15FN2O2, was determined as part of a study of the biological activity of pyridine-substituted isoxazole derivatives as mitogen-activated protein kinase (MAPK) inhibitors. In the crystal structure of the title compound, the compound exists in the lactam and not in the tautomeric pyridin-2-ol form. As the aromatic pyridine nitrogen is considered to be important for accepting a hydrogen bond from p38MAPK, the structure of the lactam unit is correlated with the loss of biological activity of the title compound in the p38MAPK assay. In the crystal structure, the lactam is involved in hydrogen bonds, forming chains along the b axis.
4-[5-(4-Fluorophenyl)-3-isopropylisoxazol-4-yl]pyridine
In the title compound, C17H15FN2O, the exocyclic bond angles at the C atoms of the isoxazole ring bearing the pyridyl and 4-fluorophenyl substituents are 129.66 (17) and 134.58 (16)°, respectively. The structure was determined in a study of the molecular geometry of isoxazole derivatives with biological activity as MAPK inhibitors.
3,4-Bis(4-fluorophenyl)-1,2,5-oxadiazole 2-oxide
The title compound, C14H8F2N2O2, also known as di(4-F-phenyl)furazan N-oxide, was found as a side product in the synthesis of isoxazole derivatives. The are two molecules in the asymmetric unit. The bond length of the dipolar N—O unit is 1.107 (7) A. X-ray analysis confirmed the compound to have the desired structure
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
The molecular structure of the title compound, C17H15FN2O, was determined in the course of our studies on mitogen-activated protein kinase inhibitors. The exocyclic bond angles at the carbon atoms of the isoxazole ring bearing the pyridyl and 4-fluorophenyl rings are 130.0 (2) and 129.2 (2)°, respectively. The pyridine and 4-fluorophenyl rings are twisted relative to the isoxazole ring by 80.2 (2) and 19.1 (1)°, respectively.