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

C19H20N4O2 — CID 46179719

IUPAC2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-phenoxy-[1,3]oxazolo[4,5-b]pyridine
SMILESc1ccc(Oc2cnc3nc(N4CCN5CCC4CC5)oc3c2)cc1
InChIInChI=1S/C19H20N4O2/c1-2-4-15(5-3-1)24-16-12-17-18(20-13-16)21-19(25-17)23-11-10-22-8-6-14(23)7-9-22/h1-5,12-14H,6-11H2
InChIKeyXLQUWSDQEGGAEN-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.30
Rot. Bonds3

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

2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-phenoxy-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 46179719) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-phenoxy-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-phenoxy-[1,3]oxazolo[4,5-b]pyridine
PubChem CID46179719
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-phenoxy-[1,3]oxazolo[4,5-b]pyridine
SMILESc1ccc(Oc2cnc3nc(N4CCN5CCC4CC5)oc3c2)cc1
InChIInChI=1S/C19H20N4O2/c1-2-4-15(5-3-1)24-16-12-17-18(20-13-16)21-19(25-17)23-11-10-22-8-6-14(23)7-9-22/h1-5,12-14H,6-11H2
InChIKeyXLQUWSDQEGGAEN-UHFFFAOYSA-N
XLogP3.30
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

CP-810123
CID 11184481
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-(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-Ethyloxazolo[4,5-b]pyridin-2-yl)-2,5-diazabicyclo[3.2.2]-nonane
CID 11572597
6-Ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 57402706
2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]oxazolo[4,5-b]pyridine
CID 66796791
2-(2-((Pyridin-3-yloxy)methyl)piperazin-1-yl)oxazolo[4,5-b]pyridine hydrochloride
CID 66796921
2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]oxazolo[4,5-b]pyridine;hydrochloride
CID 66797369
2-(1,4-Diazabicyclo[3.2.2]nonan-4-yl)-6-methyl-[1,3]oxazolo[4,5-b]pyridine
CID 10125308
2-(1,4-Diazabicyclo[3.2.2]nonan-4-yl)-6-pyridin-3-yl-[1,3]oxazolo[4,5-b]pyridine
CID 46179717

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-phenoxy-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-phenoxy-[1,3]oxazolo[4,5-b]pyridine (CID 46179719) is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-phenoxy-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-phenoxy-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-phenoxy-[1,3]oxazolo[4,5-b]pyridine is c1ccc(Oc2cnc3nc(N4CCN5CCC4CC5)oc3c2)cc1.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-phenoxy-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is XLQUWSDQEGGAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-4-15(5-3-1)24-16-12-17-18(20-13-16)21-19(25-17)23-11-10-22-8-6-14(23)7-9-22/h1-5,12-14H,6-11H2.
What are the key properties of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-phenoxy-[1,3]oxazolo[4,5-b]pyridine?
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-phenoxy-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 336.39 g/mol, XLogP of 3.30, 3 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-phenoxy-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 46179719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).