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

C13H15BrN4O2 — CID 23624273

IUPAC2-(5-bromofuran-2-yl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(N3CCN4CCC3CC4)o2)o1
InChIInChI=1S/C13H15BrN4O2/c14-11-2-1-10(19-11)12-15-16-13(20-12)18-8-7-17-5-3-9(18)4-6-17/h1-2,9H,3-8H2
InChIKeyDFTSKHAXCFJSHM-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.38
Rot. Bonds2

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

2-(5-bromofuran-2-yl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole (PubChem CID 23624273) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole
PubChem CID23624273
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name2-(5-bromofuran-2-yl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(N3CCN4CCC3CC4)o2)o1
InChIInChI=1S/C13H15BrN4O2/c14-11-2-1-10(19-11)12-15-16-13(20-12)18-8-7-17-5-3-9(18)4-6-17/h1-2,9H,3-8H2
InChIKeyDFTSKHAXCFJSHM-UHFFFAOYSA-N
XLogP2.38
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromofuran-2-yl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole (CID 23624273) is 2-(5-bromofuran-2-yl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromofuran-2-yl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole is Brc1ccc(-c2nnc(N3CCN4CCC3CC4)o2)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole?
The InChIKey is DFTSKHAXCFJSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c14-11-2-1-10(19-11)12-15-16-13(20-12)18-8-7-17-5-3-9(18)4-6-17/h1-2,9H,3-8H2.
What are the key properties of 2-(5-bromofuran-2-yl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole?
2-(5-bromofuran-2-yl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole has a molecular weight of 339.19 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 23624273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).