1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanol;ethane

C12H24N2O2 — CID 145111247

IUPAC1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanol;ethane
SMILESCC.CC.CC(O)c1nnc(C2CCC2)o1
InChIInChI=1S/C8H12N2O2.2C2H6/c1-5(11)7-9-10-8(12-7)6-3-2-4-6;2*1-2/h5-6,11H,2-4H2,1H3;2*1-2H3
InChIKeyCUUDXWQSXUBYAI-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.44
Rot. Bonds2

About 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanol;ethane

1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanol;ethane (PubChem CID 145111247) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanol;ethane.

Molecular Properties

Compound Name1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanol;ethane
PubChem CID145111247
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanol;ethane
SMILESCC.CC.CC(O)c1nnc(C2CCC2)o1
InChIInChI=1S/C8H12N2O2.2C2H6/c1-5(11)7-9-10-8(12-7)6-3-2-4-6;2*1-2/h5-6,11H,2-4H2,1H3;2*1-2H3
InChIKeyCUUDXWQSXUBYAI-UHFFFAOYSA-N
XLogP3.44
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanol;ethane?
The IUPAC name of 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanol;ethane (CID 145111247) is 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanol;ethane.
What is the SMILES notation for 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanol;ethane?
The canonical SMILES for 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanol;ethane is CC.CC.CC(O)c1nnc(C2CCC2)o1.
What is the InChIKey of 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanol;ethane?
The InChIKey is CUUDXWQSXUBYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.2C2H6/c1-5(11)7-9-10-8(12-7)6-3-2-4-6;2*1-2/h5-6,11H,2-4H2,1H3;2*1-2H3.
What are the key properties of 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanol;ethane?
1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanol;ethane has a molecular weight of 228.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanol;ethane is sourced from PubChem (CID 145111247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).