Cas no 915921-22-1 (3-3-(4-Methylphenyl)-1,2,4-oxadiazol-5-ylaniline)

3-3-(4-Methylphenyl)-1,2,4-oxadiazol-5-ylaniline is a specialized organic compound featuring a 1,2,4-oxadiazole core substituted with a 4-methylphenyl group and an aniline moiety. This structure imparts unique electronic and steric properties, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The oxadiazole ring contributes to stability and potential bioactivity, while the aniline group offers reactivity for further functionalization. Its well-defined molecular architecture ensures consistency in downstream applications, particularly in the development of heterocyclic compounds. The compound’s purity and structural precision make it suitable for research in medicinal chemistry and material science, where tailored molecular design is critical.
3-3-(4-Methylphenyl)-1,2,4-oxadiazol-5-ylaniline structure
915921-22-1 structure
Product Name:3-3-(4-Methylphenyl)-1,2,4-oxadiazol-5-ylaniline
CAS No:915921-22-1
MF:C15H13N3O
MW:251.283222913742
MDL:MFCD08691850
CID:1086663
PubChem ID:17604833
Update Time:2025-05-22

3-3-(4-Methylphenyl)-1,2,4-oxadiazol-5-ylaniline Chemical and Physical Properties

Names and Identifiers

    • 3-(3-(p-Tolyl)-1,2,4-oxadiazol-5-yl)aniline
    • 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
    • CS-0365576
    • 915921-22-1
    • MFCD08691850
    • DTXSID30589717
    • AKOS004121198
    • BS-41314
    • 3-3-(4-Methylphenyl)-1,2,4-oxadiazol-5-ylaniline
    • MDL: MFCD08691850
    • Inchi: 1S/C15H13N3O/c1-10-5-7-11(8-6-10)14-17-15(19-18-14)12-3-2-4-13(16)9-12/h2-9H,16H2,1H3
    • InChI Key: LPWJAGIYFFVSPY-UHFFFAOYSA-N
    • SMILES: O1C(C2C=CC=C(C=2)N)=NC(C2C=CC(C)=CC=2)=N1

Computed Properties

  • Exact Mass: 251.10600
  • Monoisotopic Mass: 251.105862047g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 291
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 64.9?2

Experimental Properties

  • Density: 1.209
  • Boiling Point: 462.605°C at 760 mmHg
  • Flash Point: 233.576°C
  • Refractive Index: 1.62
  • PSA: 64.94000
  • LogP: 3.87540

3-3-(4-Methylphenyl)-1,2,4-oxadiazol-5-ylaniline Pricemore >>

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Additional information on 3-3-(4-Methylphenyl)-1,2,4-oxadiazol-5-ylaniline

3-(4-Methylphenyl)-1,2,4-Oxadiazol-5-ylaniline: A Comprehensive Overview

The compound 3-(4-Methylphenyl)-1,2,4-Oxadiazol-5-ylaniline, identified by the CAS Registry Number CAS No. 915921-22-1, is a significant molecule in the field of organic chemistry and materials science. This compound belongs to the class of oxadiazoles, which are heterocyclic compounds with a five-membered ring containing two nitrogen atoms and one oxygen atom. The presence of the aniline group and the 4-methylphenyl substituent introduces unique electronic and structural properties that make this compound highly versatile for various applications.

Recent studies have highlighted the potential of 3-(4-Methylphenyl)-1,2,4-Oxadiazol-5-ylaniline in drug design and development. Researchers have explored its ability to act as a scaffold for creating bioactive molecules with potential therapeutic applications. For instance, its structural flexibility allows for the incorporation of functional groups that can target specific biological pathways or receptors, making it a valuable tool in medicinal chemistry.

In addition to its pharmaceutical applications, this compound has shown promise in materials science. The oxadiazole ring is known for its stability and ability to form strong intermolecular interactions, which makes it suitable for use in the development of advanced materials such as polymers and organic semiconductors. Recent research has demonstrated that 3-(4-Methylphenyl)-1,2,4-Oxadiazol-5-ylaniline can be used as a building block for constructing self-assembled monolayers and other nanostructured materials with tailored electronic properties.

The synthesis of CAS No. 915921-22-1 involves a multi-step process that typically includes nucleophilic substitution and condensation reactions. The choice of starting materials and reaction conditions plays a critical role in determining the yield and purity of the final product. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly syntheses of this compound, reducing production costs and minimizing waste.

The physical properties of 3-(4-Methylphenyl)-1,2,4-Oxadiazol-5-ylaniline are also worth noting. It exhibits a high melting point due to its rigid molecular structure and strong intermolecular hydrogen bonding capabilities. Its solubility in common organic solvents makes it easy to handle in laboratory settings, while its stability under thermal and oxidative conditions ensures its suitability for long-term storage and use in various industrial applications.

In conclusion, 3-(4-Methylphenyl)-1,2,4-Oxadiazol-5-ylaniline, with its unique chemical structure and versatile properties, continues to be an area of active research across multiple disciplines. From drug discovery to materials science, this compound offers numerous opportunities for innovation and practical application.

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