CAS 938022-07-2

3-Ethyl 4-[[(4-carboxyphenyl)amino]methyl]-5-methyl-3-isoxazolecarboxylate

Description:

3-Ethyl 4-[[(4-carboxyphenyl)amino]methyl]-5-methyl-3-isoxazolecarboxylate is a chemical compound characterized by its complex structure, which includes an isoxazole ring, an ethyl group, and a carboxyphenyl moiety. This compound features multiple functional groups, including carboxylic acid and amine functionalities, which contribute to its potential reactivity and solubility in various solvents. The presence of the isoxazole ring suggests that it may exhibit biological activity, possibly as a pharmaceutical agent or a biochemical probe. The ethyl and methyl substituents can influence the compound's lipophilicity and overall molecular stability. Additionally, the compound's molecular weight and specific stereochemistry may affect its interactions with biological targets. As with many organic compounds, its properties such as melting point, boiling point, and solubility would depend on the specific conditions under which they are measured. Overall, this compound's unique structure positions it as a candidate for further research in medicinal chemistry and related fields.

Formula: C₁₅H₁₆N₂O₅

InChI: InChI=1S/C15H16N2O5/c1-3-21-15(20)13-12(9(2)22-17-13)8-16-11-6-4-10(5-7-11)14(18)19/h4-7,16H,3,8H2,1-2H3,(H,18,19)

InChI key: InChIKey=MSWSRJHZHZRZPA-UHFFFAOYSA-N

SMILES: C(NC1=CC=C(C(O)=O)C=C1)C=2C(C(OCC)=O)=NOC2C

Synonyms:

• 3-Ethyl 4-[[(4-carboxyphenyl)amino]methyl]-5-methyl-3-isoxazolecarboxylate
• 3-Isoxazolecarboxylic acid, 4-[[(4-carboxyphenyl)amino]methyl]-5-methyl-, 3-ethyl ester

4-({[3-(Ethoxycarbonyl)-5-methyl-1,2-oxazol-4-yl]methyl}amino)benzoic acid

CAS: 938022-07-2

Versatile small molecule scaffold

Formula: C₁₅H₁₆N₂O₅

Purity: Min. 95%

Molecular weight: 304.3 g/mol

Ref: 3D-NMB02207