structure of 4-Methyloxazole-5-carbonitrile

4-Methyloxazole-5-carbonitrile

CAS No.: 1003-52-7
M. Wt: 108.09800
M. Fa: C5H4N2O
InChI Key: JZSLPQXOLZCAME-UHFFFAOYSA-N
Appearance: Yellow-brown Liquid

Names and Identifiers of 4-Methyloxazole-5-carbonitrile

CAS Number

1003-52-7

EC Number

213-709-7

MDL Number

MFCD01111976

IUPAC Name

4-methyl-1,3-oxazole-5-carbonitrile

InChI

InChI=1S/C5H4N2O/c1-4-5(2-6)8-3-7-4/h3H,1H3

InChIKey

JZSLPQXOLZCAME-UHFFFAOYSA-N

Canonical SMILES

CC1=C(OC=N1)C#N

UNSPSC Code

12352100

Physical and chemical properties of 4-Methyloxazole-5-carbonitrile

Boiling Point

200.3ºC at 760mmHg

Density

1.18g/cm3

Exact Mass

108.03200

Flash Point

75ºC

Index of Refraction

1.488

LogP

0.85468

Molecular Formula

C5H4N2O

Molecular Weight

108.09800

pH

8.6 at 19.5℃ and 10g/L

PSA

49.82000

surface tension

72mN/m at 1g/L and 20℃

Vapour Pressure

0.326mmHg at 25°C

Safety Information of 4-Methyloxazole-5-carbonitrile

Pictograms

Signal Word

Danger

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 4-Methyloxazole-5-carbonitrile

4-Methyl-1,3-oxazole-5-carbonitrile finds applications in several areas:

  • Pharmaceutical Development: Due to its biological activity, it serves as a potential lead compound for drug development.
  • Chemical Synthesis: It acts as an intermediate in synthesizing other complex organic molecules.
  • Proteomics Research: The compound is utilized in proteomics research for labeling and tracking proteins.

Interaction Studies of 4-Methyloxazole-5-carbonitrile

Research into the interaction of 4-methyl-1,3-oxazole-5-carbonitrile with biological targets is ongoing. Studies focus on:

  • Protein Binding Affinity: Understanding how this compound interacts with specific proteins can reveal its potential therapeutic effects.
  • Mechanisms of Action: Investigating how it affects cellular pathways could provide insights into its biological efficacy.

These studies are crucial for elucidating the full potential of this compound in medicinal chemistry and drug design.

Biological Activity of 4-Methyloxazole-5-carbonitrile

The biological activity of 4-methyl-1,3-oxazole-5-carbonitrile has been explored in various studies. It exhibits:

  • Antimicrobial Properties: Some derivatives show activity against bacteria and fungi.
  • Potential Anticancer Activity: Preliminary studies suggest that compounds with oxazole rings may inhibit cancer cell proliferation.

The specific mechanisms of action are still under investigation, but the presence of the oxazole ring is believed to play a significant role in its biological effects.

Physical sample testing spectrum (NMR) of 4-Methyloxazole-5-carbonitrile

Physical sample testing spectrum (NMR) of 4-Methyloxazole-5-carbonitrile

Retrosynthesis analysis of 4-Methyloxazole-5-carbonitrile

  • Route#1

    Cas:108-77-0
    Cas:4866-00-6
    Cas:1003-52-7
  • Route#2

    Cas:4866-00-6
    Cas:1003-52-7
  • Route#3

    Cas:20485-39-6
    Cas:1003-52-7