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

C18H19N5O — CID 46179717

IUPAC2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-pyridin-3-yl-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cncc(-c2cnc3nc(N4CCN5CCC4CC5)oc3c2)c1
InChIInChI=1S/C18H19N5O/c1-2-13(11-19-5-1)14-10-16-17(20-12-14)21-18(24-16)23-9-8-22-6-3-15(23)4-7-22/h1-2,5,10-12,15H,3-4,6-9H2
InChIKeyYQHWAEYSPGKCMQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.57
Rot. Bonds2

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

2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-pyridin-3-yl-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 46179717) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-pyridin-3-yl-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-pyridin-3-yl-[1,3]oxazolo[4,5-b]pyridine
PubChem CID46179717
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-pyridin-3-yl-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cncc(-c2cnc3nc(N4CCN5CCC4CC5)oc3c2)c1
InChIInChI=1S/C18H19N5O/c1-2-13(11-19-5-1)14-10-16-17(20-12-14)21-18(24-16)23-9-8-22-6-3-15(23)4-7-22/h1-2,5,10-12,15H,3-4,6-9H2
InChIKeyYQHWAEYSPGKCMQ-UHFFFAOYSA-N
XLogP2.57
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.57
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)-6-pyridin-3-yl-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-pyridin-3-yl-[1,3]oxazolo[4,5-b]pyridine (CID 46179717) is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-pyridin-3-yl-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-pyridin-3-yl-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-pyridin-3-yl-[1,3]oxazolo[4,5-b]pyridine is c1cncc(-c2cnc3nc(N4CCN5CCC4CC5)oc3c2)c1.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-pyridin-3-yl-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is YQHWAEYSPGKCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-13(11-19-5-1)14-10-16-17(20-12-14)21-18(24-16)23-9-8-22-6-3-15(23)4-7-22/h1-2,5,10-12,15H,3-4,6-9H2.
What are the key properties of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-pyridin-3-yl-[1,3]oxazolo[4,5-b]pyridine?
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-pyridin-3-yl-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 321.38 g/mol, XLogP of 2.57, 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)-6-pyridin-3-yl-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 46179717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).