5-methyl-3-[(E)-2-(4-methylsulfinylphenyl)ethenyl]-1,2,4-oxadiazole

C12H12N2O2S — CID 10332257

IUPAC5-methyl-3-[(E)-2-(4-methylsulfinylphenyl)ethenyl]-1,2,4-oxadiazole
SMILESCc1nc(/C=C/c2ccc(S(C)=O)cc2)no1
InChIInChI=1S/C12H12N2O2S/c1-9-13-12(14-16-9)8-5-10-3-6-11(7-4-10)17(2)15/h3-8H,1-2H3/b8-5+
InChIKeyKVNVFDUNZKJGST-VMPITWQZSA-N
MW248.31 g/mol
LogP2.29
Rot. Bonds3

About 5-methyl-3-[(E)-2-(4-methylsulfinylphenyl)ethenyl]-1,2,4-oxadiazole

5-methyl-3-[(E)-2-(4-methylsulfinylphenyl)ethenyl]-1,2,4-oxadiazole (PubChem CID 10332257) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-methyl-3-[(E)-2-(4-methylsulfinylphenyl)ethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[(E)-2-(4-methylsulfinylphenyl)ethenyl]-1,2,4-oxadiazole
PubChem CID10332257
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name5-methyl-3-[(E)-2-(4-methylsulfinylphenyl)ethenyl]-1,2,4-oxadiazole
SMILESCc1nc(/C=C/c2ccc(S(C)=O)cc2)no1
InChIInChI=1S/C12H12N2O2S/c1-9-13-12(14-16-9)8-5-10-3-6-11(7-4-10)17(2)15/h3-8H,1-2H3/b8-5+
InChIKeyKVNVFDUNZKJGST-VMPITWQZSA-N
XLogP2.29
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(E)-2-(4-methylsulfinylphenyl)ethenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[(E)-2-(4-methylsulfinylphenyl)ethenyl]-1,2,4-oxadiazole (CID 10332257) is 5-methyl-3-[(E)-2-(4-methylsulfinylphenyl)ethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[(E)-2-(4-methylsulfinylphenyl)ethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[(E)-2-(4-methylsulfinylphenyl)ethenyl]-1,2,4-oxadiazole is Cc1nc(/C=C/c2ccc(S(C)=O)cc2)no1.
What is the InChIKey of 5-methyl-3-[(E)-2-(4-methylsulfinylphenyl)ethenyl]-1,2,4-oxadiazole?
The InChIKey is KVNVFDUNZKJGST-VMPITWQZSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-9-13-12(14-16-9)8-5-10-3-6-11(7-4-10)17(2)15/h3-8H,1-2H3/b8-5+.
What are the key properties of 5-methyl-3-[(E)-2-(4-methylsulfinylphenyl)ethenyl]-1,2,4-oxadiazole?
5-methyl-3-[(E)-2-(4-methylsulfinylphenyl)ethenyl]-1,2,4-oxadiazole has a molecular weight of 248.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(E)-2-(4-methylsulfinylphenyl)ethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 10332257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).