structure of [3-(Methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid

[3-(Methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid

CAS No.: 1000894-08-5
M. Wt: 170.95900
M. Fa: C6H10BNO4
InChI Key: OFDMWBIEGDCUKQ-UHFFFAOYSA-N

Names and Identifiers of 1000894-08-5

CAS Number

1000894-08-5

IUPAC Name

[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid

InChI

InChI=1S/C6H10BNO4/c1-4-6(7(9)10)5(3-11-2)8-12-4/h9-10H,3H2,1-2H3

InChIKey

OFDMWBIEGDCUKQ-UHFFFAOYSA-N

Canonical SMILES

B(C1=C(ON=C1COC)C)(O)O

Physical and chemical properties of 1000894-08-5

Exact Mass

171.07000

Molecular Formula

C6H10BNO4

Molecular Weight

170.95900

PSA

75.72000

Safety Information of 1000894-08-5

Pictograms

Signal Word

 Warning

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

Applications of 1000894-08-5

[3-(Methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid has diverse applications due to its unique structure:

  • Pharmaceuticals: Its potential as an enzyme inhibitor makes it a candidate for drug development targeting various diseases.
  • Chemical Synthesis: Utilized as a reagent in organic synthesis for constructing complex molecules through cross-coupling reactions.
  • Diagnostics: Boronic acids are often used in biosensors and diagnostic assays due to their ability to selectively bind to sugars and other biomolecules.

Interaction Studies of 1000894-08-5

Interaction studies involving [3-(Methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid focus on its binding affinity with biological targets such as enzymes or receptors. These studies typically employ techniques like:

  • Surface Plasmon Resonance (SPR): To measure real-time binding interactions and affinities.
  • Isothermal Titration Calorimetry (ITC): To determine thermodynamic parameters of binding interactions.
  • Molecular Docking Studies: To predict how the compound interacts with specific biological targets at the molecular level.