3-(1-azabicyclo[2.2.2]octan-3-yloxy)-4-fluoro-5-methyl-1,2-oxazole

C11H15FN2O2 — CID 19038064

IUPAC3-(1-azabicyclo[2.2.2]octan-3-yloxy)-4-fluoro-5-methyl-1,2-oxazole
SMILESCc1onc(OC2CN3CCC2CC3)c1F
InChIInChI=1S/C11H15FN2O2/c1-7-10(12)11(13-16-7)15-9-6-14-4-2-8(9)3-5-14/h8-9H,2-6H2,1H3
InChIKeyHXQUQPWJBYFQOR-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.60
Rot. Bonds2

About 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-4-fluoro-5-methyl-1,2-oxazole

3-(1-azabicyclo[2.2.2]octan-3-yloxy)-4-fluoro-5-methyl-1,2-oxazole (PubChem CID 19038064) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-4-fluoro-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.2]octan-3-yloxy)-4-fluoro-5-methyl-1,2-oxazole
PubChem CID19038064
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name3-(1-azabicyclo[2.2.2]octan-3-yloxy)-4-fluoro-5-methyl-1,2-oxazole
SMILESCc1onc(OC2CN3CCC2CC3)c1F
InChIInChI=1S/C11H15FN2O2/c1-7-10(12)11(13-16-7)15-9-6-14-4-2-8(9)3-5-14/h8-9H,2-6H2,1H3
InChIKeyHXQUQPWJBYFQOR-UHFFFAOYSA-N
XLogP1.60
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.60
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)-4-fluoro-5-methyl-1,2-oxazole?
The IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-4-fluoro-5-methyl-1,2-oxazole (CID 19038064) is 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-4-fluoro-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-4-fluoro-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-4-fluoro-5-methyl-1,2-oxazole is Cc1onc(OC2CN3CCC2CC3)c1F.
What is the InChIKey of 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-4-fluoro-5-methyl-1,2-oxazole?
The InChIKey is HXQUQPWJBYFQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7-10(12)11(13-16-7)15-9-6-14-4-2-8(9)3-5-14/h8-9H,2-6H2,1H3.
What are the key properties of 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-4-fluoro-5-methyl-1,2-oxazole?
3-(1-azabicyclo[2.2.2]octan-3-yloxy)-4-fluoro-5-methyl-1,2-oxazole has a molecular weight of 226.25 g/mol, XLogP of 1.60, 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)-4-fluoro-5-methyl-1,2-oxazole is sourced from PubChem (CID 19038064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).