2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C15H12N2OS — CID 6104810

IUPAC2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1ccc(/C=C/c2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C15H12N2OS/c1-11-4-6-12(7-5-11)8-9-14-16-17-15(18-14)13-3-2-10-19-13/h2-10H,1H3/b9-8+
InChIKeyKDEULOBQHLTUPO-CMDGGOBGSA-N
MW268.34 g/mol
LogP4.28
Rot. Bonds3

About 2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 6104810) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID6104810
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1ccc(/C=C/c2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C15H12N2OS/c1-11-4-6-12(7-5-11)8-9-14-16-17-15(18-14)13-3-2-10-19-13/h2-10H,1H3/b9-8+
InChIKeyKDEULOBQHLTUPO-CMDGGOBGSA-N
XLogP4.28
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 6104810) is 2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole is Cc1ccc(/C=C/c2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of 2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is KDEULOBQHLTUPO-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-11-4-6-12(7-5-11)8-9-14-16-17-15(18-14)13-3-2-10-19-13/h2-10H,1H3/b9-8+.
What are the key properties of 2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 268.34 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 6104810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).