5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2-oxazole

C8H11N3O — CID 22036925

IUPAC5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2-oxazole
SMILESc1cc(N2CC3CC2CN3)on1
InChIInChI=1S/C8H11N3O/c1-2-10-12-8(1)11-5-6-3-7(11)4-9-6/h1-2,6-7,9H,3-5H2
InChIKeyGTHHOGTXWGLPBD-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.23
Rot. Bonds1

About 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2-oxazole

5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2-oxazole (PubChem CID 22036925) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2-oxazole
PubChem CID22036925
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2-oxazole
SMILESc1cc(N2CC3CC2CN3)on1
InChIInChI=1S/C8H11N3O/c1-2-10-12-8(1)11-5-6-3-7(11)4-9-6/h1-2,6-7,9H,3-5H2
InChIKeyGTHHOGTXWGLPBD-UHFFFAOYSA-N
XLogP0.23
TPSA41.30 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 ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2-oxazole?
The IUPAC name of 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2-oxazole (CID 22036925) is 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2-oxazole.
What is the SMILES notation for 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2-oxazole?
The canonical SMILES for 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2-oxazole is c1cc(N2CC3CC2CN3)on1.
What is the InChIKey of 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2-oxazole?
The InChIKey is GTHHOGTXWGLPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-10-12-8(1)11-5-6-3-7(11)4-9-6/h1-2,6-7,9H,3-5H2.
What are the key properties of 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2-oxazole?
5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2-oxazole has a molecular weight of 165.20 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2-oxazole is sourced from PubChem (CID 22036925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).