structure of

"5-Methyl-2-phenyl-oxazole-4-carboxylic acid Methyl ester

CAS No.: 100063-41-0
M. Wt: 217.22100
M. Fa: C12H11NO3
InChI Key: -

Names and Identifiers of 100063-41-0

CAS Number

100063-41-0

IUPAC Name

methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

Canonical SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)OC

Physical and chemical properties of 100063-41-0

Exact Mass

217.07400

LogP

2.43660

Molecular Formula

C12H11NO3

Molecular Weight

217.22100

PSA

52.33000

Interaction Studies of 100063-41-0

Interaction studies involving methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate have focused on its binding affinity and inhibitory effects on specific enzymes like HldE kinase. These studies are crucial for understanding its mechanism of action and potential therapeutic applications against bacterial infections.

Biological Activity of 100063-41-0

Research indicates that methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate exhibits significant biological activity. It has been investigated for its potential as an inhibitor of HldE kinase, which is involved in virulence in Gram-negative bacteria. Such inhibitors are valuable in developing new antimicrobial agents aimed at reducing bacterial virulence without necessarily killing the bacteria, thereby minimizing resistance development.

Retrosynthesis analysis of 100063-41-0

  • Route#1

    Cas:186581-53-3
    Cas:18735-74-5
    Cas:100063-41-0
  • Route#2

    Cas:2940-19-4
    Cas:100063-41-0
  • Route#3

    Cas:18735-67-6
    Cas:100063-41-0