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

C17H19N5O — CID 21100095

IUPAC2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-indolizin-2-yl-1,3,4-oxadiazole
SMILESc1ccn2cc(-c3nnc(N4CCN5CCC4CC5)o3)cc2c1
InChIInChI=1S/C17H19N5O/c1-2-6-21-12-13(11-15(21)3-1)16-18-19-17(23-16)22-10-9-20-7-4-14(22)5-8-20/h1-3,6,11-12,14H,4-5,7-10H2
InChIKeyRATYAXAETQVAEY-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.27
Rot. Bonds2

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

2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-indolizin-2-yl-1,3,4-oxadiazole (PubChem CID 21100095) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-indolizin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-indolizin-2-yl-1,3,4-oxadiazole
PubChem CID21100095
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-indolizin-2-yl-1,3,4-oxadiazole
SMILESc1ccn2cc(-c3nnc(N4CCN5CCC4CC5)o3)cc2c1
InChIInChI=1S/C17H19N5O/c1-2-6-21-12-13(11-15(21)3-1)16-18-19-17(23-16)22-10-9-20-7-4-14(22)5-8-20/h1-3,6,11-12,14H,4-5,7-10H2
InChIKeyRATYAXAETQVAEY-UHFFFAOYSA-N
XLogP2.27
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.27
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-indolizin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-indolizin-2-yl-1,3,4-oxadiazole (CID 21100095) is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-indolizin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-indolizin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-indolizin-2-yl-1,3,4-oxadiazole is c1ccn2cc(-c3nnc(N4CCN5CCC4CC5)o3)cc2c1.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-indolizin-2-yl-1,3,4-oxadiazole?
The InChIKey is RATYAXAETQVAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-6-21-12-13(11-15(21)3-1)16-18-19-17(23-16)22-10-9-20-7-4-14(22)5-8-20/h1-3,6,11-12,14H,4-5,7-10H2.
What are the key properties of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-indolizin-2-yl-1,3,4-oxadiazole?
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-indolizin-2-yl-1,3,4-oxadiazole has a molecular weight of 309.37 g/mol, XLogP of 2.27, 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-indolizin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 21100095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).