hexane;oxadiazole

C8H16N2O — CID 174487987

IUPAChexane;oxadiazole
SMILESCCCCCC.c1conn1
InChIInChI=1S/C6H14.C2H2N2O/c1-3-5-6-4-2;1-2-5-4-3-1/h3-6H2,1-2H3;1-2H
InChIKeyWUEXPRRJMPSSDO-UHFFFAOYSA-N
MW156.23 g/mol
LogP2.66
Rot. Bonds3

About hexane;oxadiazole

hexane;oxadiazole (PubChem CID 174487987) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is hexane;oxadiazole.

Molecular Properties

Compound Namehexane;oxadiazole
PubChem CID174487987
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Namehexane;oxadiazole
SMILESCCCCCC.c1conn1
InChIInChI=1S/C6H14.C2H2N2O/c1-3-5-6-4-2;1-2-5-4-3-1/h3-6H2,1-2H3;1-2H
InChIKeyWUEXPRRJMPSSDO-UHFFFAOYSA-N
XLogP2.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexane;oxadiazole?
The IUPAC name of hexane;oxadiazole (CID 174487987) is hexane;oxadiazole.
What is the SMILES notation for hexane;oxadiazole?
The canonical SMILES for hexane;oxadiazole is CCCCCC.c1conn1.
What is the InChIKey of hexane;oxadiazole?
The InChIKey is WUEXPRRJMPSSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C2H2N2O/c1-3-5-6-4-2;1-2-5-4-3-1/h3-6H2,1-2H3;1-2H.
What are the key properties of hexane;oxadiazole?
hexane;oxadiazole has a molecular weight of 156.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;oxadiazole is sourced from PubChem (CID 174487987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).