oxadiazole

C2H2N2O — CID 10197612

IUPACoxadiazole
SMILESc1conn1
InChIInChI=1S/C2H2N2O/c1-2-5-4-3-1/h1-2H
InChIKeyWCPAKWJPBJAGKN-UHFFFAOYSA-N
MW70.05 g/mol
LogP0.07
Rot. Bonds

About oxadiazole

oxadiazole (PubChem CID 10197612) has the molecular formula C2H2N2O and a molecular weight of 70.05 g/mol. Its IUPAC name is oxadiazole.

Molecular Properties

Compound Nameoxadiazole
PubChem CID10197612
Molecular FormulaC2H2N2O
Molecular Weight70.05 g/mol
Exact Mass70.02
IUPAC Nameoxadiazole
SMILESc1conn1
InChIInChI=1S/C2H2N2O/c1-2-5-4-3-1/h1-2H
InChIKeyWCPAKWJPBJAGKN-UHFFFAOYSA-N
XLogP0.07
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.05
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxadiazole?
The IUPAC name of oxadiazole (CID 10197612) is oxadiazole.
What is the SMILES notation for oxadiazole?
The canonical SMILES for oxadiazole is c1conn1.
What is the InChIKey of oxadiazole?
The InChIKey is WCPAKWJPBJAGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2O/c1-2-5-4-3-1/h1-2H.
What are the key properties of oxadiazole?
oxadiazole has a molecular weight of 70.05 g/mol, XLogP of 0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazole is sourced from PubChem (CID 10197612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).