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

C17H28N4O2 — CID 161166915

IUPAC2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole;ethane
SMILESCC.CC.c1coc(-c2nnc(N3CCN4CCC3CC4)o2)c1
InChIInChI=1S/C13H16N4O2.2C2H6/c1-2-11(18-9-1)12-14-15-13(19-12)17-8-7-16-5-3-10(17)4-6-16;2*1-2/h1-2,9-10H,3-8H2;2*1-2H3
InChIKeyUQQWOGDDIGGRKA-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.67
Rot. Bonds2

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

2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole;ethane (PubChem CID 161166915) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole;ethane.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole;ethane
PubChem CID161166915
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole;ethane
SMILESCC.CC.c1coc(-c2nnc(N3CCN4CCC3CC4)o2)c1
InChIInChI=1S/C13H16N4O2.2C2H6/c1-2-11(18-9-1)12-14-15-13(19-12)17-8-7-16-5-3-10(17)4-6-16;2*1-2/h1-2,9-10H,3-8H2;2*1-2H3
InChIKeyUQQWOGDDIGGRKA-UHFFFAOYSA-N
XLogP3.67
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.67
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;ethane?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole;ethane (CID 161166915) is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole;ethane.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole;ethane?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole;ethane is CC.CC.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;ethane?
The InChIKey is UQQWOGDDIGGRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2.2C2H6/c1-2-11(18-9-1)12-14-15-13(19-12)17-8-7-16-5-3-10(17)4-6-16;2*1-2/h1-2,9-10H,3-8H2;2*1-2H3.
What are the key properties of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole;ethane?
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-2-yl)-1,3,4-oxadiazole;ethane has a molecular weight of 320.44 g/mol, XLogP of 3.67, 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;ethane is sourced from PubChem (CID 161166915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).