structure of (4S,4'S)-2,2'-(Cyclopentane-1,1-diyl)bis(4-benzyl-4,5-dihydrooxazole)

(4S,4'S)-2,2'-(Cyclopentane-1,1-diyl)bis(4-benzyl-4,5-dihydrooxazole)

CAS No.: 1003886-05-2
M. Wt: 388.502
M. Fa: C25H28N2O2
InChI Key: RSBSWYBZVIWBOP-VXKWHMMOSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 1003886-05-2

CAS Number

1003886-05-2

IUPAC Name

(4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole

InChI

InChI=1S/C25H28N2O2/c1-3-9-19(10-4-1)15-21-17-28-23(26-21)25(13-7-8-14-25)24-27-22(18-29-24)16-20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2/t21-,22-/m0/s1

InChIKey

RSBSWYBZVIWBOP-VXKWHMMOSA-N

Canonical SMILES

C1CCC(C1)(C2=NC(CO2)CC3=CC=CC=C3)C4=NC(CO4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)(C2=N[C@H](CO2)CC3=CC=CC=C3)C4=N[C@H](CO4)CC5=CC=CC=C5

Physical and chemical properties of 1003886-05-2

Acidity coefficient

5.83±0.70(Predicted)

Boiling Point

524.0±33.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Exact Mass

388.215088

Flash Point

216.3±17.9 °C

Index of Refraction

1.634

LogP

3.44

Molecular Formula

C25H28N2O2

Molecular Weight

388.502

Storage condition

under inert gas (nitrogen or Argon) at 2-8°C

Vapour Pressure

0.0±1.3 mmHg at 25°C

Safety Information of 1003886-05-2

Pictograms

Signal Word

 Warning

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

Applications of 1003886-05-2

This compound has potential applications in various fields:

  • Pharmaceuticals: Due to its biological activity, it could serve as a lead compound in drug development targeting infections or cancer.
  • Agricultural chemicals: Its antimicrobial properties might be useful in developing new pesticides or fungicides.
  • Material science: The unique structure may impart interesting physical properties for use in polymers or coatings.

Research into these applications is ongoing as scientists explore the full potential of such compounds.

Interaction Studies of 1003886-05-2

Interaction studies for (4S,4'S)-2,2'-(Cyclopentane-1,1-diyl)bis(4-benzyl-4,5-dihydrooxazole) typically focus on:

  • Binding affinity assays: Evaluating how well the compound interacts with biological targets such as enzymes or receptors.
  • Cellular uptake studies: Investigating how effectively the compound enters cells and its subsequent effects on cellular processes.
  • Toxicity assessments: Understanding the safety profile of the compound in various biological systems.

These studies are crucial for determining the viability of this compound for therapeutic use.

Biological Activity of 1003886-05-2

Compounds similar to (4S,4'S)-2,2'-(Cyclopentane-1,1-diyl)bis(4-benzyl-4,5-dihydrooxazole) often exhibit significant biological activities due to their structural characteristics. For instance:

  • Antimicrobial properties: Many oxazole derivatives have been shown to possess antibacterial and antifungal activities.
  • Anticancer potential: Certain compounds with similar structures have been investigated for their ability to inhibit cancer cell proliferation.
  • Neuroprotective effects: Some studies suggest that oxazole-containing compounds may protect neuronal cells from damage.

The unique combination of the cyclopentane and oxazole moieties may enhance these biological properties, making it a subject of interest for medicinal chemistry.

Physical sample testing spectrum (NMR) of 1003886-05-2

Physical sample testing spectrum (NMR) of 1003886-05-2