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

C11H16N2O — CID 14685512

IUPAC2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole
SMILESCc1coc(C2CN3CCC2CC3)n1
InChIInChI=1S/C11H16N2O/c1-8-7-14-11(12-8)10-6-13-4-2-9(10)3-5-13/h7,9-10H,2-6H2,1H3
InChIKeyNCDSFSBJHABNAA-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.79
Rot. Bonds1

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

2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole (PubChem CID 14685512) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole
PubChem CID14685512
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole
SMILESCc1coc(C2CN3CCC2CC3)n1
InChIInChI=1S/C11H16N2O/c1-8-7-14-11(12-8)10-6-13-4-2-9(10)3-5-13/h7,9-10H,2-6H2,1H3
InChIKeyNCDSFSBJHABNAA-UHFFFAOYSA-N
XLogP1.79
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.79
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-methyl-1,3-oxazole?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole (CID 14685512) is 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole is Cc1coc(C2CN3CCC2CC3)n1.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole?
The InChIKey is NCDSFSBJHABNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-7-14-11(12-8)10-6-13-4-2-9(10)3-5-13/h7,9-10H,2-6H2,1H3.
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole?
2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole has a molecular weight of 192.26 g/mol, XLogP of 1.79, 1 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-methyl-1,3-oxazole is sourced from PubChem (CID 14685512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).