2-(Piperazin-1-yl)-1,3-benzoxazole

Name: 2-(Piperazin-1-yl)-1,3-benzoxazole
Brand: ChemScene
Availability: InStock
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CAS No. 111628-39-8
Cat. No. CS-0076043
Molecule weight203.24
Purity≥98%
MDL No.MFCD04035522

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FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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2-(Piperazin-1-yl)-1,3-benzoxazole|CS-0076043

Structure of 111628-39-8

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General Information

CAS No. 111628-39-8
Cat. No. CS-0076043
Purity ≥98%
MDL No. MFCD04035522
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₃N₃O
Molecular Weight 203.24
Synonym(s) 2-Piperazin-1-yl-benzooxazole
SMILES C1(N2CCNCC2)=NC3=CC=CC=C3O1

Description

2-(Piperazin-1-yl)-1,3-benzoxazole features a fused benzoxazole core paired with a piperazine side chain, delivering enhanced solubility and versatility in medicinal chemistry. This scaffold integrates readily into bioactive molecules, leveraging the electron-rich piperazine for hydrogen bonding and metal coordination. Its bench-stable nature supports reliable use in synthesis and screening workflows.

Application

2-(Piperazin-1-yl)-1,3-benzoxazole serves as a versatile heterocyclic building block in medicinal chemistry, enabling the construction of bioactive scaffolds through palladium-catalyzed cross-coupling reactions. Its piperazine moiety enhances solubility and provides a handle for further functionalization, while the benzoxazole core offers metabolic stability and favorable pharmacokinetic properties. The compound exhibits excellent bench stability and is compatible with standard synthetic workflows, facilitating efficient access to complex molecular architectures.

Synthesis

Route1
- 110-85-0
- In-stock
  
  615-18-9
- ~75%
- In-stock
  
  111628-39-8
References
- Hofer, Sandra; Kratschmar, Denise V.; Schernthanner, Brigitte; Vuorinen, Anna; Schuster, Daniela; Odermatt, Alex; Easmon, Johnny Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 19 p. 5397 - 5400

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

TPSA 41.3
LogP 1.2374
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Key Words

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2-(Piperazin-1-yl)-1,3-benzoxazole

CAS No. 111628-39-8

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