CAS 1261236-40-1

3-(3-Methyl-5-isoxazolyl)benzenamine

Description:

3-(3-Methyl-5-isoxazolyl)benzenamine, identified by its CAS number 1261236-40-1, is an organic compound characterized by the presence of both an isoxazole ring and an aniline structure. The isoxazole moiety contributes to its potential biological activity, as this five-membered heterocyclic compound often exhibits various pharmacological properties. The methyl group at the 3-position of the isoxazole enhances its lipophilicity, potentially influencing its interaction with biological targets. The benzenamine part of the molecule indicates the presence of an amino group, which can participate in hydrogen bonding and may affect the compound's solubility and reactivity. Overall, this compound may be of interest in medicinal chemistry for its potential applications in drug development, particularly in the context of targeting specific biological pathways or receptors. Its specific physical and chemical properties, such as melting point, boiling point, and solubility, would need to be determined through experimental methods or referenced from chemical databases for practical applications.

Formula: C₁₀H₁₀N₂O

InChI: InChI=1S/C10H10N2O/c1-7-5-10(13-12-7)8-3-2-4-9(11)6-8/h2-6H,11H2,1H3

InChI key: InChIKey=BACHVIPKDQXWEC-UHFFFAOYSA-N

SMILES: NC=1C=C(C=CC1)C=2ON=C(C)C2

Synonyms:

• Benzenamine, 3-(3-methyl-5-isoxazolyl)-
• 3-(3-Methyl-5-isoxazolyl)benzenamine