5-Phenyl-3H-1,3,4-oxadiazol-2-one

Name: 5-Phenyl-3H-1,3,4-oxadiazol-2-one
Brand: ChemScene
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CAS No. 1199-02-6
Cat. No. CS-0213334
Purity≥96%
MDL No.MFCD05023177

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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5-Phenyl-3H-1,3,4-oxadiazol-2-one|CS-0213334

Structure of 1199-02-6

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General Information

CAS No. 1199-02-6
Cat. No. CS-0213334
Purity ≥96%
MDL No. MFCD05023177
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆N₂O₂
Molecular Weight 162.15
Synonym(s) 5-Phenyl-1,3,4-oxadiazol-2-ol
SMILES C1=CC=C(C=C1)C2=NN=C(O)O2

Description

5-Phenyl-3H-1,3,4-oxadiazol-2-one is a stable heterocyclic scaffold featuring a fused oxadiazolone ring with a phenyl substituent at the 5-position. This electron-deficient core integrates readily into medicinal chemistry libraries, offering enhanced metabolic stability and favorable pharmacokinetic properties. The compound serves as a versatile building block for bioactive molecule synthesis, particularly in targeted covalent inhibitor design.

Application

5-Phenyl-3H-1,3,4-oxadiazol-2-one serves as a stable, bench-ready heterocyclic building block for medicinal chemistry and materials synthesis. Its oxadiazolone core exhibits robust functional group tolerance and participates reliably in nucleophilic displacement and cycloaddition reactions. The phenyl substituent enhances π-conjugation and provides synthetic handle for further derivatization, facilitating access to diverse scaffolds in API development and functional molecular design.

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 59.15
LogP 1.4422
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Oxadiazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5-Phenyl-3H-1,3,4-oxadiazol-2-one

CAS No. 1199-02-6

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