3-(1-azabicyclo[2.2.2]octan-3-yloxy)-1,2-oxazole

C10H14N2O2 — CID 10198049

IUPAC3-(1-azabicyclo[2.2.2]octan-3-yloxy)-1,2-oxazole
SMILESc1cc(OC2CN3CCC2CC3)no1
InChIInChI=1S/C10H14N2O2/c1-4-12-5-2-8(1)9(7-12)14-10-3-6-13-11-10/h3,6,8-9H,1-2,4-5,7H2
InChIKeyFBHYIUWJDHHCCJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.15
Rot. Bonds2

About 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-1,2-oxazole

3-(1-azabicyclo[2.2.2]octan-3-yloxy)-1,2-oxazole (PubChem CID 10198049) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-1,2-oxazole.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.2]octan-3-yloxy)-1,2-oxazole
PubChem CID10198049
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(1-azabicyclo[2.2.2]octan-3-yloxy)-1,2-oxazole
SMILESc1cc(OC2CN3CCC2CC3)no1
InChIInChI=1S/C10H14N2O2/c1-4-12-5-2-8(1)9(7-12)14-10-3-6-13-11-10/h3,6,8-9H,1-2,4-5,7H2
InChIKeyFBHYIUWJDHHCCJ-UHFFFAOYSA-N
XLogP1.15
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.15
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)-1,2-oxazole?
The IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-1,2-oxazole (CID 10198049) is 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-1,2-oxazole.
What is the SMILES notation for 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-1,2-oxazole?
The canonical SMILES for 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-1,2-oxazole is c1cc(OC2CN3CCC2CC3)no1.
What is the InChIKey of 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-1,2-oxazole?
The InChIKey is FBHYIUWJDHHCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-12-5-2-8(1)9(7-12)14-10-3-6-13-11-10/h3,6,8-9H,1-2,4-5,7H2.
What are the key properties of 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-1,2-oxazole?
3-(1-azabicyclo[2.2.2]octan-3-yloxy)-1,2-oxazole has a molecular weight of 194.23 g/mol, XLogP of 1.15, 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)-1,2-oxazole is sourced from PubChem (CID 10198049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).