2-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile

C20H19N5O — CID 11688784

IUPAC2-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile
SMILESN#Cc1ccccc1-c1cnc2nc(N3CCN4CCC3CC4)oc2c1
InChIInChI=1S/C20H19N5O/c21-12-14-3-1-2-4-17(14)15-11-18-19(22-13-15)23-20(26-18)25-10-9-24-7-5-16(25)6-8-24/h1-4,11,13,16H,5-10H2
InChIKeyIRYBONLGACOOAC-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.05
Rot. Bonds2

About 2-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile

2-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile (PubChem CID 11688784) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name2-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile
PubChem CID11688784
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile
SMILESN#Cc1ccccc1-c1cnc2nc(N3CCN4CCC3CC4)oc2c1
InChIInChI=1S/C20H19N5O/c21-12-14-3-1-2-4-17(14)15-11-18-19(22-13-15)23-20(26-18)25-10-9-24-7-5-16(25)6-8-24/h1-4,11,13,16H,5-10H2
InChIKeyIRYBONLGACOOAC-UHFFFAOYSA-N
XLogP3.05
TPSA69.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile with MolForge

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Related Compounds

6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-[1,3]oxazolo[4,5-b]pyridine
CID 69369593
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine;hydrochloride
CID 46179896
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 11645769
2-(1,4-diazabicyclo[3.2.1]octan-4-yl)-5,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine
CID 11715849
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-4-nitro-1,3-benzoxazole
CID 22495800
6-(6-methyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 57400951
2-(2,6-diamino-4-pyridinyl)benzonitrile
CID 22629705
3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzaldehyde
CID 57395715
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-indolizin-2-yl-1,3,4-oxadiazole
CID 21100095
azetidine;2-[2-[2-(azetidin-1-yl)ethyl]-1,3-benzoxazol-5-yl]benzonitrile
CID 157422446
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-quinolin-2-yl-1,3,4-oxadiazole
CID 21100103
2-(4-chlorophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole
CID 10040739

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile?
The IUPAC name of 2-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile (CID 11688784) is 2-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 2-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile?
The canonical SMILES for 2-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile is N#Cc1ccccc1-c1cnc2nc(N3CCN4CCC3CC4)oc2c1.
What is the InChIKey of 2-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile?
The InChIKey is IRYBONLGACOOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c21-12-14-3-1-2-4-17(14)15-11-18-19(22-13-15)23-20(26-18)25-10-9-24-7-5-16(25)6-8-24/h1-4,11,13,16H,5-10H2.
What are the key properties of 2-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile?
2-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile has a molecular weight of 345.41 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 11688784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).