3-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole

C6H6N4O2 — CID 91917195

IUPAC3-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
SMILESCc1noc(-c2nc(C)no2)n1
InChIInChI=1S/C6H6N4O2/c1-3-7-5(11-9-3)6-8-4(2)10-12-6/h1-2H3
InChIKeyOHMJLZYRRJVWCP-UHFFFAOYSA-N
MW166.14 g/mol
LogP0.74
Rot. Bonds1

About 3-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole

3-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole (PubChem CID 91917195) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 3-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
PubChem CID91917195
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name3-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
SMILESCc1noc(-c2nc(C)no2)n1
InChIInChI=1S/C6H6N4O2/c1-3-7-5(11-9-3)6-8-4(2)10-12-6/h1-2H3
InChIKeyOHMJLZYRRJVWCP-UHFFFAOYSA-N
XLogP0.74
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole 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-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole (CID 91917195) is 3-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole is Cc1noc(-c2nc(C)no2)n1.
What is the InChIKey of 3-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is OHMJLZYRRJVWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c1-3-7-5(11-9-3)6-8-4(2)10-12-6/h1-2H3.
What are the key properties of 3-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
3-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 166.14 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 91917195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).