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

C15H19ClN2O2 — CID 19038082

IUPAC3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-benzoxazole;hydrochloride
SMILESCc1ccc2onc(OC3CN4CCC3CC4)c2c1.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-10-2-3-13-12(8-10)15(16-19-13)18-14-9-17-6-4-11(14)5-7-17;/h2-3,8,11,14H,4-7,9H2,1H3;1H
InChIKeyRASLJMMHTYUWFZ-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.03
Rot. Bonds2

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

3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-benzoxazole;hydrochloride (PubChem CID 19038082) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-benzoxazole;hydrochloride.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-benzoxazole;hydrochloride
PubChem CID19038082
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-benzoxazole;hydrochloride
SMILESCc1ccc2onc(OC3CN4CCC3CC4)c2c1.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-10-2-3-13-12(8-10)15(16-19-13)18-14-9-17-6-4-11(14)5-7-17;/h2-3,8,11,14H,4-7,9H2,1H3;1H
InChIKeyRASLJMMHTYUWFZ-UHFFFAOYSA-N
XLogP3.03
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.03
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-benzoxazole;hydrochloride?
The IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-benzoxazole;hydrochloride (CID 19038082) is 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-benzoxazole;hydrochloride.
What is the SMILES notation for 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-benzoxazole;hydrochloride?
The canonical SMILES for 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-benzoxazole;hydrochloride is Cc1ccc2onc(OC3CN4CCC3CC4)c2c1.Cl.
What is the InChIKey of 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-benzoxazole;hydrochloride?
The InChIKey is RASLJMMHTYUWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.ClH/c1-10-2-3-13-12(8-10)15(16-19-13)18-14-9-17-6-4-11(14)5-7-17;/h2-3,8,11,14H,4-7,9H2,1H3;1H.
What are the key properties of 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-benzoxazole;hydrochloride?
3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-benzoxazole;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 3.03, 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-benzoxazole;hydrochloride is sourced from PubChem (CID 19038082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).