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CAS 7064-34-8

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5-(3-chlorophenyl)isoxazole

Description:
5-(3-Chlorophenyl)isoxazole is an organic compound characterized by its isoxazole ring, which is a five-membered heterocyclic structure containing both nitrogen and oxygen atoms. The presence of a 3-chlorophenyl group enhances its chemical properties, contributing to its potential biological activity. This compound typically exhibits moderate to high lipophilicity, which can influence its solubility in organic solvents and its permeability through biological membranes. The chlorine substituent on the phenyl ring can affect the compound's reactivity and interaction with biological targets, potentially enhancing its pharmacological profile. Isoxazoles are known for their diverse applications in medicinal chemistry, often serving as scaffolds for drug development due to their ability to interact with various biological pathways. Additionally, 5-(3-chlorophenyl)isoxazole may exhibit specific spectral characteristics, making it identifiable through techniques such as NMR and mass spectrometry. Overall, this compound represents a significant interest in research fields related to pharmaceuticals and agrochemicals.
Formula:C26H34N4O2S2
InChI:InChI=1/C26H34N4O2S2/c1-5-10-29-23(28-14-16(2)11-17(3)15-28)20(18(4)21(13-27)24(29)31)12-22-25(32)30(26(33)34-22)19-8-6-7-9-19/h12,16-17,19H,5-11,14-15H2,1-4H3
SMILES:CCCn1c(c(C=C2C(=O)N(C3CCCC3)C(=S)S2)c(C)c(C#N)c1=O)N1CC(C)CC(C)C1
Synonyms:
  • 5-[(3-Cyclopentyl-4-Oxo-2-Thioxo-1,3-Thiazolidin-5-Ylidene)Methyl]-6-(3,5-Dimethylpiperidin-1-Yl)-4-Methyl-2-Oxo-1-Propyl-1,2-Dihydropyridine-3-Carbonitrile
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