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

C14H18N4O — CID 10125308

IUPAC2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-methyl-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1cnc2nc(N3CCN4CCC3CC4)oc2c1
InChIInChI=1S/C14H18N4O/c1-10-8-12-13(15-9-10)16-14(19-12)18-7-6-17-4-2-11(18)3-5-17/h8-9,11H,2-7H2,1H3
InChIKeyHKGCNQMLKXHLLZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.82
Rot. Bonds1

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

2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-methyl-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 10125308) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-methyl-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-methyl-[1,3]oxazolo[4,5-b]pyridine
PubChem CID10125308
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-methyl-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1cnc2nc(N3CCN4CCC3CC4)oc2c1
InChIInChI=1S/C14H18N4O/c1-10-8-12-13(15-9-10)16-14(19-12)18-7-6-17-4-2-11(18)3-5-17/h8-9,11H,2-7H2,1H3
InChIKeyHKGCNQMLKXHLLZ-UHFFFAOYSA-N
XLogP1.82
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

CP-810123
CID 11184481
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-((oxazolo(4,5-b)pyridin-2-ylmethyl)amino)-
CID 454390
6-Chloro-2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 10286136
4-(6-BROMO-OXAZOLO[4,5-b]PYRIDIN-2-YL)-1,4-DIAZA-BICYCLO[3.2.2]NONANE
CID 11220991
4-Oxazolo[5,4-c]pyridin-2-yl-1,4-diazabicyclo[3.2.2]nonane
CID 11230291
4-(6-PHENYL-OXAZOLO[4,5-b]PYRIDIN-2-YL)-1,4-DIAZA-BICYCLO[3.2.2]NONANE
CID 11244122
4-Oxazolo[4,5-b]pyridin-2-yl-1,4-diazabicyclo[3.2.2]nonane
CID 11311114
2-(5-Phenyloxazolo[4,5-b]pyridin-2-yl)-2,5-diazabicyclo[3.2.2]-nonane
CID 11522624
2-(5-Ethyloxazolo[4,5-b]pyridin-2-yl)-2,5-diazabicyclo[3.2.2]-nonane
CID 11572597
4-(6-Fluoro-5-methyloxazolo[4,5-b]pyridin-2-yl)-1,4-diazabicyclo[3.2.2]nonane
CID 11680667
6-Chloro-2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine
CID 11709098
N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide
CID 46244801

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-methyl-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-methyl-[1,3]oxazolo[4,5-b]pyridine (CID 10125308) is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-methyl-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-methyl-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-methyl-[1,3]oxazolo[4,5-b]pyridine is Cc1cnc2nc(N3CCN4CCC3CC4)oc2c1.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-methyl-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is HKGCNQMLKXHLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-8-12-13(15-9-10)16-14(19-12)18-7-6-17-4-2-11(18)3-5-17/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-methyl-[1,3]oxazolo[4,5-b]pyridine?
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-methyl-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 258.32 g/mol, XLogP of 1.82, 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)-6-methyl-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 10125308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).