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

C6H12N2O — CID 91321658

IUPAC3,5-dimethyl-1,2,4-oxadiazole;ethane
SMILESCC.Cc1noc(C)n1
InChIInChI=1S/C4H6N2O.C2H6/c1-3-5-4(2)7-6-3;1-2/h1-2H3;1-2H3
InChIKeyYEKHWBSJPCJZJW-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.71
Rot. Bonds

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

3,5-dimethyl-1,2,4-oxadiazole;ethane (PubChem CID 91321658) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;ethane.

Molecular Properties

Compound Name3,5-dimethyl-1,2,4-oxadiazole;ethane
PubChem CID91321658
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name3,5-dimethyl-1,2,4-oxadiazole;ethane
SMILESCC.Cc1noc(C)n1
InChIInChI=1S/C4H6N2O.C2H6/c1-3-5-4(2)7-6-3;1-2/h1-2H3;1-2H3
InChIKeyYEKHWBSJPCJZJW-UHFFFAOYSA-N
XLogP1.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethyl-1,2,4-oxadiazole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;ethane?
The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;ethane (CID 91321658) is 3,5-dimethyl-1,2,4-oxadiazole;ethane.
What is the SMILES notation for 3,5-dimethyl-1,2,4-oxadiazole;ethane?
The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;ethane is CC.Cc1noc(C)n1.
What is the InChIKey of 3,5-dimethyl-1,2,4-oxadiazole;ethane?
The InChIKey is YEKHWBSJPCJZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.C2H6/c1-3-5-4(2)7-6-3;1-2/h1-2H3;1-2H3.
What are the key properties of 3,5-dimethyl-1,2,4-oxadiazole;ethane?
3,5-dimethyl-1,2,4-oxadiazole;ethane has a molecular weight of 128.17 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2,4-oxadiazole;ethane is sourced from PubChem (CID 91321658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).