CAS 1119452-68-4

[4-[5-(Chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-morpholinylmethanone

Description:

The chemical substance known as [4-[5-(Chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-morpholinylmethanone, with the CAS number 1119452-68-4, exhibits several notable characteristics. It is a synthetic organic compound that features a complex structure, incorporating a phenyl ring, a morpholine moiety, and an oxadiazole group, which contributes to its potential biological activity. The presence of the chloromethyl group suggests reactivity, allowing for further chemical modifications. This compound may exhibit properties such as antimicrobial, antifungal, or anticancer activities, typical of many oxadiazole derivatives. Its solubility and stability can vary depending on the solvent and environmental conditions, which are crucial for its application in pharmaceuticals or agrochemicals. Additionally, the compound's molecular interactions, including hydrogen bonding and π-π stacking, can influence its biological efficacy and mechanism of action. Overall, this substance represents a class of compounds that are of interest in medicinal chemistry and material science due to their diverse functional properties.

Formula: C₁₄H₁₄ClN₃O₃

InChI: InChI=1S/C14H14ClN3O3/c15-9-12-16-13(17-21-12)10-1-3-11(4-2-10)14(19)18-5-7-20-8-6-18/h1-4H,5-9H2

InChI key: InChIKey=XCZQHIOUZOHRII-UHFFFAOYSA-N

SMILES: C(Cl)C1=NC(=NO1)C2=CC=C(C(=O)N3CCOCC3)C=C2

Synonyms:

• Methanone, [4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-morpholinyl-
• [4-[5-(Chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-morpholinylmethanone
• 4-{4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]benzoyl}morpholine