Among the most effective recoverable catalytic systems, metal‐oxide nanoparticles (NPs) are well known for their extensive uses in a broad range of industries, pharmaceuticals, and nano‐biotechnology. In addition, heterogeneous catalysis uses clearly defined materials which are present an extensive range of new possibilities for the research and production of innovative catalysts that help to solve the world's energy and environmental problems. ZnO‐NPs have been used as effective nanocatalysts according to the literature for various kinds of organic reactions. The extensive advantages of ZnO‐NPs over bulk materials suggest that this is a promising field for further research. This review article provides an in‐depth overview of the several ZnO‐NPs that have been reported to catalyse organic transformations including the production of bio‐active compounds like benzofuran, coumarin, imidazole, indole, pyrazole, pyridine pyrimidine, thiazole, diazepine, azoles derivatives. Recent synthetic routes for modifying and functionalizing ZnO‐NPs to increase their catalytic efficacy were also addressed, and illustrated with schematics. The development of novel, highly effective, and reusable modified ZnO‐NPs as catalysts, which would clear the way for the establishment of greener and sustainable technologies, provides the key to the future of catalysis. Researchers attempting to synthesise new functionalized ZnO‐NPs for sustainable development will find this review informative.