Isoxazole derivatives: Progress and perspectives in agrochemical discovery

Isoxazole, a versatile five-membered nitrogen–oxygen heterocycle, has emerged as a privileged scaffold in pesticide discovery. Its distinct electronic properties and rigid structure render it an excellent pharmacophore, enhancing bioactivity and selectivity. To date, isoxazole-containing molecules have made advanced rapidly across agricultural applications, including fungicidal, insecticidal, herbicidal, and antiviral activities, with several compounds successfully commercialized. Multiple modifiable sites in the scaffold facilitate the rational design of highly effective, low-toxicity, low-residue, and environmentally benign agrochemicals while offering new opportunities for exploring target mechanisms and advancing resistance management. This review systematically summarizes recent advances in bioactive compounds containing the isoxazole motif, discusses their structure–activity relationships and modes of action, and provides strategic insights into the future development of green and efficient isoxazole-derived pesticides.