3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole;hydrochloride

C11H17ClN2O2 — CID 19038128

IUPAC3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole;hydrochloride
SMILESCc1cc(OC2CN3CCC2CC3)no1.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-8-6-11(12-15-8)14-10-7-13-4-2-9(10)3-5-13;/h6,9-10H,2-5,7H2,1H3;1H
InChIKeyZIJJSUATGXWKQV-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.88
Rot. Bonds2

About 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole;hydrochloride

3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole;hydrochloride (PubChem CID 19038128) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole;hydrochloride
PubChem CID19038128
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole;hydrochloride
SMILESCc1cc(OC2CN3CCC2CC3)no1.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-8-6-11(12-15-8)14-10-7-13-4-2-9(10)3-5-13;/h6,9-10H,2-5,7H2,1H3;1H
InChIKeyZIJJSUATGXWKQV-UHFFFAOYSA-N
XLogP1.88
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole;hydrochloride?
The IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole;hydrochloride (CID 19038128) is 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole;hydrochloride.
What is the SMILES notation for 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole;hydrochloride?
The canonical SMILES for 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole;hydrochloride is Cc1cc(OC2CN3CCC2CC3)no1.Cl.
What is the InChIKey of 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole;hydrochloride?
The InChIKey is ZIJJSUATGXWKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.ClH/c1-8-6-11(12-15-8)14-10-7-13-4-2-9(10)3-5-13;/h6,9-10H,2-5,7H2,1H3;1H.
What are the key properties of 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole;hydrochloride?
3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole;hydrochloride has a molecular weight of 244.72 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole;hydrochloride is sourced from PubChem (CID 19038128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).