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

C19H20N4O — CID 11522624

IUPAC2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]pyridine
SMILESc1ccc(-c2ccc3oc(N4CCN5CCC4CC5)nc3n2)cc1
InChIInChI=1S/C19H20N4O/c1-2-4-14(5-3-1)16-6-7-17-18(20-16)21-19(24-17)23-13-12-22-10-8-15(23)9-11-22/h1-7,15H,8-13H2
InChIKeyFSPOUWAFZGKHDS-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.17
Rot. Bonds2

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

2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 11522624) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]pyridine
PubChem CID11522624
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]pyridine
SMILESc1ccc(-c2ccc3oc(N4CCN5CCC4CC5)nc3n2)cc1
InChIInChI=1S/C19H20N4O/c1-2-4-14(5-3-1)16-6-7-17-18(20-16)21-19(24-17)23-13-12-22-10-8-15(23)9-11-22/h1-7,15H,8-13H2
InChIKeyFSPOUWAFZGKHDS-UHFFFAOYSA-N
XLogP3.17
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.17
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)-5-phenyl-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]pyridine (CID 11522624) is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]pyridine is c1ccc(-c2ccc3oc(N4CCN5CCC4CC5)nc3n2)cc1.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is FSPOUWAFZGKHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-4-14(5-3-1)16-6-7-17-18(20-16)21-19(24-17)23-13-12-22-10-8-15(23)9-11-22/h1-7,15H,8-13H2.
What are the key properties of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]pyridine?
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 320.40 g/mol, XLogP of 3.17, 2 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)-5-phenyl-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 11522624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).