5-(2-azabicyclo[2.2.1]heptan-1-yl)-1,2,4-oxadiazole

C8H11N3O — CID 173218288

IUPAC5-(2-azabicyclo[2.2.1]heptan-1-yl)-1,2,4-oxadiazole
SMILESc1noc(C23CCC(CN2)C3)n1
InChIInChI=1S/C8H11N3O/c1-2-8(3-6(1)4-10-8)7-9-5-11-12-7/h5-6,10H,1-4H2
InChIKeyRDZQWXUXIYCVHG-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.67
Rot. Bonds1

About 5-(2-azabicyclo[2.2.1]heptan-1-yl)-1,2,4-oxadiazole

5-(2-azabicyclo[2.2.1]heptan-1-yl)-1,2,4-oxadiazole (PubChem CID 173218288) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-(2-azabicyclo[2.2.1]heptan-1-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-azabicyclo[2.2.1]heptan-1-yl)-1,2,4-oxadiazole
PubChem CID173218288
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5-(2-azabicyclo[2.2.1]heptan-1-yl)-1,2,4-oxadiazole
SMILESc1noc(C23CCC(CN2)C3)n1
InChIInChI=1S/C8H11N3O/c1-2-8(3-6(1)4-10-8)7-9-5-11-12-7/h5-6,10H,1-4H2
InChIKeyRDZQWXUXIYCVHG-UHFFFAOYSA-N
XLogP0.67
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-1-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-1-yl)-1,2,4-oxadiazole (CID 173218288) is 5-(2-azabicyclo[2.2.1]heptan-1-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-azabicyclo[2.2.1]heptan-1-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-azabicyclo[2.2.1]heptan-1-yl)-1,2,4-oxadiazole is c1noc(C23CCC(CN2)C3)n1.
What is the InChIKey of 5-(2-azabicyclo[2.2.1]heptan-1-yl)-1,2,4-oxadiazole?
The InChIKey is RDZQWXUXIYCVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-8(3-6(1)4-10-8)7-9-5-11-12-7/h5-6,10H,1-4H2.
What are the key properties of 5-(2-azabicyclo[2.2.1]heptan-1-yl)-1,2,4-oxadiazole?
5-(2-azabicyclo[2.2.1]heptan-1-yl)-1,2,4-oxadiazole has a molecular weight of 165.20 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azabicyclo[2.2.1]heptan-1-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 173218288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).