Investigation on four new benzoxazole derivatives: Desing, synthesis, ADMET, DFT calculation, antimicrobial activity, and molecular docking

•Four new benzoxazole derivatives were synthesized.•Spectroscopic and elemental analysis were reported.•DFT and molecular docking calculations have been performed in detail.•Theoretical ADMET properties of the new benzoxazole derivatives were computed.•Antimicrobial activities against some bacteria...

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Bibliographic Details
Published in:Journal of molecular structure 2025-08, Vol.1338, p.142218, Article 142218
Main Authors: Zeyrek, Celal Tuğrul, Erol, Meryem, Arpaci, Ozlem Temiz, Arısoy, Mustafa, Salan, Alparslan Semih
Format: Article
Language:English
Subjects:
Antimicrobial activity
Benzoxazoles
Chemical parameters
Density functional theory
Molecular docking
Spectroscopy
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