2-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethyl-1,3-oxazole

C12H18N2O — CID 19018580

IUPAC2-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethyl-1,3-oxazole
SMILESCCc1coc(C2CN3CCC2CC3)n1
InChIInChI=1S/C12H18N2O/c1-2-10-8-15-12(13-10)11-7-14-5-3-9(11)4-6-14/h8-9,11H,2-7H2,1H3
InChIKeyAHYZRAHEVGJXSU-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.05
Rot. Bonds2

About 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethyl-1,3-oxazole

2-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethyl-1,3-oxazole (PubChem CID 19018580) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethyl-1,3-oxazole.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethyl-1,3-oxazole
PubChem CID19018580
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethyl-1,3-oxazole
SMILESCCc1coc(C2CN3CCC2CC3)n1
InChIInChI=1S/C12H18N2O/c1-2-10-8-15-12(13-10)11-7-14-5-3-9(11)4-6-14/h8-9,11H,2-7H2,1H3
InChIKeyAHYZRAHEVGJXSU-UHFFFAOYSA-N
XLogP2.05
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethyl-1,3-oxazole?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethyl-1,3-oxazole (CID 19018580) is 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethyl-1,3-oxazole.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethyl-1,3-oxazole?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethyl-1,3-oxazole is CCc1coc(C2CN3CCC2CC3)n1.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethyl-1,3-oxazole?
The InChIKey is AHYZRAHEVGJXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-10-8-15-12(13-10)11-7-14-5-3-9(11)4-6-14/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethyl-1,3-oxazole?
2-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethyl-1,3-oxazole has a molecular weight of 206.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethyl-1,3-oxazole is sourced from PubChem (CID 19018580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).