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

C19H19FN4O — CID 11645769

IUPAC2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESFc1cccc(-c2ccc3oc(N4CCN5CCC4CC5)nc3n2)c1
InChIInChI=1S/C19H19FN4O/c20-14-3-1-2-13(12-14)16-4-5-17-18(21-16)22-19(25-17)24-11-10-23-8-6-15(24)7-9-23/h1-5,12,15H,6-11H2
InChIKeyKCWCTIGENFHLSF-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.31
Rot. Bonds2

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

2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 11645769) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID11645769
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESFc1cccc(-c2ccc3oc(N4CCN5CCC4CC5)nc3n2)c1
InChIInChI=1S/C19H19FN4O/c20-14-3-1-2-13(12-14)16-4-5-17-18(21-16)22-19(25-17)24-11-10-23-8-6-15(24)7-9-23/h1-5,12,15H,6-11H2
InChIKeyKCWCTIGENFHLSF-UHFFFAOYSA-N
XLogP3.31
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.31
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-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine (CID 11645769) is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine is Fc1cccc(-c2ccc3oc(N4CCN5CCC4CC5)nc3n2)c1.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is KCWCTIGENFHLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-14-3-1-2-13(12-14)16-4-5-17-18(21-16)22-19(25-17)24-11-10-23-8-6-15(24)7-9-23/h1-5,12,15H,6-11H2.
What are the key properties of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine?
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 338.39 g/mol, XLogP of 3.31, 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-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 11645769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).