3,5-diethyl-1,2,4-oxadiazole;ethane

C8H16N2O — CID 143641881

IUPAC3,5-diethyl-1,2,4-oxadiazole;ethane
SMILESCC.CCc1noc(CC)n1
InChIInChI=1S/C6H10N2O.C2H6/c1-3-5-7-6(4-2)9-8-5;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyDGTXHNOLLKNNCN-UHFFFAOYSA-N
MW156.23 g/mol
LogP2.22
Rot. Bonds2

About 3,5-diethyl-1,2,4-oxadiazole;ethane

3,5-diethyl-1,2,4-oxadiazole;ethane (PubChem CID 143641881) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3,5-diethyl-1,2,4-oxadiazole;ethane.

Molecular Properties

Compound Name3,5-diethyl-1,2,4-oxadiazole;ethane
PubChem CID143641881
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3,5-diethyl-1,2,4-oxadiazole;ethane
SMILESCC.CCc1noc(CC)n1
InChIInChI=1S/C6H10N2O.C2H6/c1-3-5-7-6(4-2)9-8-5;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyDGTXHNOLLKNNCN-UHFFFAOYSA-N
XLogP2.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1,2,4-oxadiazole;ethane?
The IUPAC name of 3,5-diethyl-1,2,4-oxadiazole;ethane (CID 143641881) is 3,5-diethyl-1,2,4-oxadiazole;ethane.
What is the SMILES notation for 3,5-diethyl-1,2,4-oxadiazole;ethane?
The canonical SMILES for 3,5-diethyl-1,2,4-oxadiazole;ethane is CC.CCc1noc(CC)n1.
What is the InChIKey of 3,5-diethyl-1,2,4-oxadiazole;ethane?
The InChIKey is DGTXHNOLLKNNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C2H6/c1-3-5-7-6(4-2)9-8-5;1-2/h3-4H2,1-2H3;1-2H3.
What are the key properties of 3,5-diethyl-1,2,4-oxadiazole;ethane?
3,5-diethyl-1,2,4-oxadiazole;ethane has a molecular weight of 156.23 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1,2,4-oxadiazole;ethane is sourced from PubChem (CID 143641881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).