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

C18H16N2O — CID 6247698

IUPAC2-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole
SMILESCc1ccc(/C=C/c2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C18H16N2O/c1-13-3-7-15(8-4-13)9-12-17-19-20-18(21-17)16-10-5-14(2)6-11-16/h3-12H,1-2H3/b12-9+
InChIKeyGGTZYUBYLVSZEV-FMIVXFBMSA-N
MW276.34 g/mol
LogP4.52
Rot. Bonds3

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

2-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole (PubChem CID 6247698) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole
PubChem CID6247698
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole
SMILESCc1ccc(/C=C/c2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C18H16N2O/c1-13-3-7-15(8-4-13)9-12-17-19-20-18(21-17)16-10-5-14(2)6-11-16/h3-12H,1-2H3/b12-9+
InChIKeyGGTZYUBYLVSZEV-FMIVXFBMSA-N
XLogP4.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole (CID 6247698) is 2-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole is Cc1ccc(/C=C/c2nnc(-c3ccc(C)cc3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole?
The InChIKey is GGTZYUBYLVSZEV-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-3-7-15(8-4-13)9-12-17-19-20-18(21-17)16-10-5-14(2)6-11-16/h3-12H,1-2H3/b12-9+.
What are the key properties of 2-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole has a molecular weight of 276.34 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 6247698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).