2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole

C13H16N4O2 — CID 10332833

IUPAC2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(N3CCN4CCC3CC4)o2)c1
InChIInChI=1S/C13H16N4O2/c1-2-11(18-9-1)12-14-15-13(19-12)17-8-7-16-5-3-10(17)4-6-16/h1-2,9-10H,3-8H2
InChIKeyGYNXMRDDGAXVNF-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.61
Rot. Bonds2

About 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole

2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 10332833) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID10332833
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(N3CCN4CCC3CC4)o2)c1
InChIInChI=1S/C13H16N4O2/c1-2-11(18-9-1)12-14-15-13(19-12)17-8-7-16-5-3-10(17)4-6-16/h1-2,9-10H,3-8H2
InChIKeyGYNXMRDDGAXVNF-UHFFFAOYSA-N
XLogP1.61
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole (CID 10332833) is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole is c1coc(-c2nnc(N3CCN4CCC3CC4)o2)c1.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is GYNXMRDDGAXVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-11(18-9-1)12-14-15-13(19-12)17-8-7-16-5-3-10(17)4-6-16/h1-2,9-10H,3-8H2.
What are the key properties of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole?
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 260.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 10332833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).