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

C19H20ClFN4O — CID 46179896

IUPAC2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine;hydrochloride
SMILESCl.Fc1ccccc1-c1ccc2oc(N3CCN4CCC3CC4)nc2n1
InChIInChI=1S/C19H19FN4O.ClH/c20-15-4-2-1-3-14(15)16-5-6-17-18(21-16)22-19(25-17)24-12-11-23-9-7-13(24)8-10-23;/h1-6,13H,7-12H2;1H
InChIKeyVVJNXXMSUIPJTP-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.74
Rot. Bonds2

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

2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine;hydrochloride (PubChem CID 46179896) has the molecular formula C19H20ClFN4O and a molecular weight of 374.85 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine;hydrochloride.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine;hydrochloride
PubChem CID46179896
Molecular FormulaC19H20ClFN4O
Molecular Weight374.85 g/mol
Exact Mass374.13
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine;hydrochloride
SMILESCl.Fc1ccccc1-c1ccc2oc(N3CCN4CCC3CC4)nc2n1
InChIInChI=1S/C19H19FN4O.ClH/c20-15-4-2-1-3-14(15)16-5-6-17-18(21-16)22-19(25-17)24-12-11-23-9-7-13(24)8-10-23;/h1-6,13H,7-12H2;1H
InChIKeyVVJNXXMSUIPJTP-UHFFFAOYSA-N
XLogP3.74
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.74
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-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine;hydrochloride?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine;hydrochloride (CID 46179896) is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine;hydrochloride.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine;hydrochloride?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine;hydrochloride is Cl.Fc1ccccc1-c1ccc2oc(N3CCN4CCC3CC4)nc2n1.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine;hydrochloride?
The InChIKey is VVJNXXMSUIPJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O.ClH/c20-15-4-2-1-3-14(15)16-5-6-17-18(21-16)22-19(25-17)24-12-11-23-9-7-13(24)8-10-23;/h1-6,13H,7-12H2;1H.
What are the key properties of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine;hydrochloride?
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine;hydrochloride has a molecular weight of 374.85 g/mol, XLogP of 3.74, 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-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine;hydrochloride is sourced from PubChem (CID 46179896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).