structure of Ethyl 1-ethyl-2-oxo-2,3-dihydro-1h-1,3-benzodiazole-5-carboxylate

Ethyl 1-ethyl-2-oxo-2,3-dihydro-1h-1,3-benzodiazole-5-carboxylate

CAS No.: 1000932-51-3
M. Wt: 234.25
M. Fa: C12H14N2O3
InChI Key: MFSDAZAXDDRYOB-UHFFFAOYSA-N

Names and Identifiers of 1000932-51-3

CAS Number

1000932-51-3

MDL Number

MFCD09971378

IUPAC Name

ethyl 1-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylate

InChI

InChI=1S/C12H14N2O3/c1-3-14-10-6-5-8(11(15)17-4-2)7-9(10)13-12(14)16/h5-7H,3-4H2,1-2H3,(H,13,16)

InChIKey

MFSDAZAXDDRYOB-UHFFFAOYSA-N

Canonical SMILES

CCOC(=O)C1=CC=C2C(=C1)NC(=O)N2CC

UNSPSC Code

12352100

Physical and chemical properties of 1000932-51-3

H Bond Acceptors

2

H Bond Donors

1

LogP

1.90750162033333

Molecular Formula

C12H14N2O3

Molecular Weight

234.25

Safety Information of 1000932-51-3

Pictograms

Signal Word

 Warning

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

Applications of 1000932-51-3

Ethyl 1-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylate has several potential applications:

  • Pharmaceutical Development: As a lead compound in drug discovery for anti-inflammatory and antimicrobial agents.
  • Chemical Research: Used as an intermediate in synthesizing other complex organic compounds.

The compound's unique structure makes it suitable for further exploration in various fields of chemistry and medicine.

Interaction Studies of 1000932-51-3

Interaction studies are crucial for understanding how ethyl 1-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylate interacts with biological targets. Initial assessments may include:

  • Binding Affinity Tests: Evaluating how well the compound binds to specific enzymes or receptors.
  • In vitro Assays: Testing the compound's effects on cell lines to assess cytotoxicity and therapeutic potential.

These studies can help identify the compound's role in biological systems and its potential therapeutic benefits.

Biological Activity of 1000932-51-3

Ethyl 1-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylate exhibits various biological activities that make it a candidate for further research in pharmacology. Preliminary studies suggest potential anti-inflammatory and antimicrobial properties. The compound's interaction with biological systems may be attributed to its structural features, which allow it to interact with specific biological targets, although more detailed studies are required to elucidate its mechanisms of action.