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

C13H16N4O — CID 11447932

IUPAC2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESc1cnc2oc(N3CCN4CCC3CC4)nc2c1
InChIInChI=1S/C13H16N4O/c1-2-11-12(14-5-1)18-13(15-11)17-9-8-16-6-3-10(17)4-7-16/h1-2,5,10H,3-4,6-9H2
InChIKeyDNBUHXJXKUSPHI-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.51
Rot. Bonds1

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

2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 11447932) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID11447932
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESc1cnc2oc(N3CCN4CCC3CC4)nc2c1
InChIInChI=1S/C13H16N4O/c1-2-11-12(14-5-1)18-13(15-11)17-9-8-16-6-3-10(17)4-7-16/h1-2,5,10H,3-4,6-9H2
InChIKeyDNBUHXJXKUSPHI-UHFFFAOYSA-N
XLogP1.51
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[5,4-b]pyridine (CID 11447932) is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[5,4-b]pyridine is c1cnc2oc(N3CCN4CCC3CC4)nc2c1.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is DNBUHXJXKUSPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-11-12(14-5-1)18-13(15-11)17-9-8-16-6-3-10(17)4-7-16/h1-2,5,10H,3-4,6-9H2.
What are the key properties of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[5,4-b]pyridine?
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 244.30 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 11447932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).