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

C6H6N4O2 — CID 667911

IUPAC5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazole
SMILESCc1nc(-c2noc(C)n2)no1
InChIInChI=1S/C6H6N4O2/c1-3-7-5(9-11-3)6-8-4(2)12-10-6/h1-2H3
InChIKeyRSAHCYWEJAORGE-UHFFFAOYSA-N
MW166.14 g/mol
LogP0.74
Rot. Bonds1

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

5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazole (PubChem CID 667911) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazole
PubChem CID667911
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazole
SMILESCc1nc(-c2noc(C)n2)no1
InChIInChI=1S/C6H6N4O2/c1-3-7-5(9-11-3)6-8-4(2)12-10-6/h1-2H3
InChIKeyRSAHCYWEJAORGE-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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazole (CID 667911) is 5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazole is Cc1nc(-c2noc(C)n2)no1.
What is the InChIKey of 5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is RSAHCYWEJAORGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c1-3-7-5(9-11-3)6-8-4(2)12-10-6/h1-2H3.
What are the key properties of 5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazole?
5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-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 5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 667911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).