structure of 1-{1-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}piperazine

1-{1-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}piperazine

CAS No.: 1000933-07-2
M. Wt: 272.35
M. Fa: C15H20N4O
InChI Key: AKDBATIICVWIMJ-UHFFFAOYSA-N

Names and Identifiers of 1000933-07-2

CAS Number

1000933-07-2

IUPAC Name

3-(4-methylphenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

InChI

InChI=1S/C15H20N4O/c1-11-3-5-13(6-4-11)14-17-15(20-18-14)12(2)19-9-7-16-8-10-19/h3-6,12,16H,7-10H2,1-2H3

InChIKey

AKDBATIICVWIMJ-UHFFFAOYSA-N

Canonical SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)C(C)N3CCNCC3

Physical and chemical properties of 1000933-07-2

Molecular Formula

C15H20N4O

Molecular Weight

272.35

Applications of 1000933-07-2

The applications of 1-{1-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}piperazine are primarily in medicinal chemistry and drug development. Its unique structure suggests potential uses in:

  • Antimicrobial agents: Targeting bacterial infections.
  • Anticancer therapies: As a candidate for further development against various cancer types.
  • Neurological disorders: Due to the piperazine structure's known effects on neurotransmitter systems.

Research continues to explore its full pharmacological profile and therapeutic potential.

Interaction Studies of 1000933-07-2

Interaction studies have indicated that 1-{1-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}piperazine may interact with specific biological targets such as enzymes involved in metabolic pathways. These interactions could lead to inhibition or activation of pathways relevant to disease processes. Further studies using molecular docking and binding assays are necessary to elucidate these interactions fully and understand their implications for drug design.

Biological Activity of 1000933-07-2

Preliminary studies suggest that 1-{1-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}piperazine exhibits significant biological activities, including antimicrobial and anticancer properties. The oxadiazole moiety is known for its ability to interact with biological targets such as enzymes and receptors, potentially leading to therapeutic effects. In vitro assays have indicated that this compound may inhibit cell proliferation in certain cancer cell lines, highlighting its potential as an antitumor agent.