5-ethenyl-3-(2-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole

C8H12N2OS — CID 130927976

IUPAC5-ethenyl-3-(2-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole
SMILESC=Cc1nc(C(C)(C)SC)no1
InChIInChI=1S/C8H12N2OS/c1-5-6-9-7(10-11-6)8(2,3)12-4/h5H,1H2,2-4H3
InChIKeyWTQBZPJDNZHSMX-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.31
Rot. Bonds3

About 5-ethenyl-3-(2-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole

5-ethenyl-3-(2-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole (PubChem CID 130927976) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-ethenyl-3-(2-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethenyl-3-(2-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole
PubChem CID130927976
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-ethenyl-3-(2-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole
SMILESC=Cc1nc(C(C)(C)SC)no1
InChIInChI=1S/C8H12N2OS/c1-5-6-9-7(10-11-6)8(2,3)12-4/h5H,1H2,2-4H3
InChIKeyWTQBZPJDNZHSMX-UHFFFAOYSA-N
XLogP2.31
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylsulfanylmethyl)-5-ethenyl-1,2,4-oxadiazole
CID 65133849
3-butyl-5-ethenyl-1,2,4-oxadiazole
CID 79405150
5-ethenyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
CID 130517490
5-ethenyl-3-octyl-1,2,4-oxadiazole
CID 156799943
4-ethenyl-6-(2-methylsulfanylpropan-2-yl)pyrimidine
CID 167202885
3-(4,4-dimethylcyclohexyl)-5-ethenyl-1,2,4-oxadiazole
CID 65389570
5,6-dimethyl-2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-amine
CID 130839460
3-(5,6-dimethyl-1,4-dithian-2-yl)-5-ethenyl-1,2,4-oxadiazole
CID 103344280
5-ethenyl-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole
CID 106789413
[2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-yl]methanamine
CID 130757978
3-(2-methoxypropan-2-yl)-5-(1-phenylprop-2-enyl)-1,2,4-oxadiazole
CID 167788716
3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole
CID 115565464

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-(2-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethenyl-3-(2-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole (CID 130927976) is 5-ethenyl-3-(2-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethenyl-3-(2-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethenyl-3-(2-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole is C=Cc1nc(C(C)(C)SC)no1.
What is the InChIKey of 5-ethenyl-3-(2-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is WTQBZPJDNZHSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-5-6-9-7(10-11-6)8(2,3)12-4/h5H,1H2,2-4H3.
What are the key properties of 5-ethenyl-3-(2-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole?
5-ethenyl-3-(2-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 184.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-(2-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 130927976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).