5-cyclobutyl-1,2,4-oxadiazole

C6H8N2O — CID 126542521

IUPAC5-cyclobutyl-1,2,4-oxadiazole
SMILESc1noc(C2CCC2)n1
InChIInChI=1S/C6H8N2O/c1-2-5(3-1)6-7-4-8-9-6/h4-5H,1-3H2
InChIKeyIQOQCGOTCJUPIV-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.34
Rot. Bonds1

About 5-cyclobutyl-1,2,4-oxadiazole

5-cyclobutyl-1,2,4-oxadiazole (PubChem CID 126542521) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 5-cyclobutyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclobutyl-1,2,4-oxadiazole
PubChem CID126542521
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name5-cyclobutyl-1,2,4-oxadiazole
SMILESc1noc(C2CCC2)n1
InChIInChI=1S/C6H8N2O/c1-2-5(3-1)6-7-4-8-9-6/h4-5H,1-3H2
InChIKeyIQOQCGOTCJUPIV-UHFFFAOYSA-N
XLogP1.34
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-1,2,4-oxadiazole?
The IUPAC name of 5-cyclobutyl-1,2,4-oxadiazole (CID 126542521) is 5-cyclobutyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclobutyl-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclobutyl-1,2,4-oxadiazole is c1noc(C2CCC2)n1.
What is the InChIKey of 5-cyclobutyl-1,2,4-oxadiazole?
The InChIKey is IQOQCGOTCJUPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-5(3-1)6-7-4-8-9-6/h4-5H,1-3H2.
What are the key properties of 5-cyclobutyl-1,2,4-oxadiazole?
5-cyclobutyl-1,2,4-oxadiazole has a molecular weight of 124.14 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-1,2,4-oxadiazole is sourced from PubChem (CID 126542521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).