5-(1-Benzofuran-2-yl)-1,3,4-oxadiazol-2(3H)-one

Base Information

• Chemical Name: 5-(1-Benzofuran-2-yl)-1,3,4-oxadiazol-2(3H)-one
• CAS No.: 78620-33-4
• Molecular Formula: C10H6N2O3
• Molecular Weight: 202.16600
• ChEMBL ID: CHEMBL21324
• DSSTox Substance ID: DTXSID40517985
• Wikidata: Q82380316

Synonyms:78620-33-4;5-(Benzofuran-2-yl)-1,3,4-oxadiazol-2(3H)-one;CHEMBL21324;5-(1-Benzofuran-2-yl)-1,3,4-oxadiazol-2(3H)-one;SCHEMBL11400912;DTXSID40517985;AKOS013514381

Chemical Property of 5-(1-Benzofuran-2-yl)-1,3,4-oxadiazol-2(3H)-one

Chemical Property:

• PSA: 72.29000
• Density: 1.58±0.1 g/cm3(Predicted)
• LogP: 2.18840
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 202.03784206
• Heavy Atom Count: 15
• Complexity: 316

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(O2)C3=NNC(=O)O3

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