2-phenyl-1,3,4-oxadiazole

C8H6N2O — CID 13217

IUPAC2-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnco2)cc1
InChIInChI=1S/C8H6N2O/c1-2-4-7(5-3-1)8-10-9-6-11-8/h1-6H
InChIKeyZEOMRHKTIYBETG-UHFFFAOYSA-N
MW146.15 g/mol
LogP1.74
Rot. Bonds1

About 2-phenyl-1,3,4-oxadiazole

2-phenyl-1,3,4-oxadiazole (PubChem CID 13217) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-1,3,4-oxadiazole
PubChem CID13217
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name2-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnco2)cc1
InChIInChI=1S/C8H6N2O/c1-2-4-7(5-3-1)8-10-9-6-11-8/h1-6H
InChIKeyZEOMRHKTIYBETG-UHFFFAOYSA-N
XLogP1.74
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-1,3,4-oxadiazole (CID 13217) is 2-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnco2)cc1.
What is the InChIKey of 2-phenyl-1,3,4-oxadiazole?
The InChIKey is ZEOMRHKTIYBETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c1-2-4-7(5-3-1)8-10-9-6-11-8/h1-6H.
What are the key properties of 2-phenyl-1,3,4-oxadiazole?
2-phenyl-1,3,4-oxadiazole has a molecular weight of 146.15 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 13217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).