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

C8H14N2OS — CID 123435203

IUPAC2-methyl-5-(2-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole
SMILESCCC(C)(SC)c1nnc(C)o1
InChIInChI=1S/C8H14N2OS/c1-5-8(3,12-4)7-10-9-6(2)11-7/h5H2,1-4H3
InChIKeyWZPHACJARREWIH-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.37
Rot. Bonds3

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

2-methyl-5-(2-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole (PubChem CID 123435203) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-methyl-5-(2-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(2-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole
PubChem CID123435203
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-methyl-5-(2-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole
SMILESCCC(C)(SC)c1nnc(C)o1
InChIInChI=1S/C8H14N2OS/c1-5-8(3,12-4)7-10-9-6(2)11-7/h5H2,1-4H3
InChIKeyWZPHACJARREWIH-UHFFFAOYSA-N
XLogP2.37
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(2-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole (CID 123435203) is 2-methyl-5-(2-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(2-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(2-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole is CCC(C)(SC)c1nnc(C)o1.
What is the InChIKey of 2-methyl-5-(2-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole?
The InChIKey is WZPHACJARREWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-5-8(3,12-4)7-10-9-6(2)11-7/h5H2,1-4H3.
What are the key properties of 2-methyl-5-(2-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole?
2-methyl-5-(2-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole has a molecular weight of 186.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 123435203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).