2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole

C22H16N2O — CID 59816346

IUPAC2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
SMILESC=Cc1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C22H16N2O/c1-2-16-8-10-19(11-9-16)21-23-24-22(25-21)20-14-12-18(13-15-20)17-6-4-3-5-7-17/h2-15H,1H2
InChIKeyPZUMKQRGVCQQMV-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.71
Rot. Bonds4

About 2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole

2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole (PubChem CID 59816346) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
PubChem CID59816346
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
SMILESC=Cc1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C22H16N2O/c1-2-16-8-10-19(11-9-16)21-23-24-22(25-21)20-14-12-18(13-15-20)17-6-4-3-5-7-17/h2-15H,1H2
InChIKeyPZUMKQRGVCQQMV-UHFFFAOYSA-N
XLogP5.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole (CID 59816346) is 2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole is C=Cc1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.
What is the InChIKey of 2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole?
The InChIKey is PZUMKQRGVCQQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c1-2-16-8-10-19(11-9-16)21-23-24-22(25-21)20-14-12-18(13-15-20)17-6-4-3-5-7-17/h2-15H,1H2.
What are the key properties of 2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole?
2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole has a molecular weight of 324.38 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 59816346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).