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

C17H14N2O — CID 6089462

IUPAC2-[(E)-2-(4-methylphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc(/C=C/c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C17H14N2O/c1-13-7-9-14(10-8-13)11-12-16-18-19-17(20-16)15-5-3-2-4-6-15/h2-12H,1H3/b12-11+
InChIKeyPQHPYNGPKZJEBW-VAWYXSNFSA-N
MW262.31 g/mol
LogP4.22
Rot. Bonds3

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

2-[(E)-2-(4-methylphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 6089462) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(E)-2-(4-methylphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(E)-2-(4-methylphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID6089462
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-[(E)-2-(4-methylphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc(/C=C/c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C17H14N2O/c1-13-7-9-14(10-8-13)11-12-16-18-19-17(20-16)15-5-3-2-4-6-15/h2-12H,1H3/b12-11+
InChIKeyPQHPYNGPKZJEBW-VAWYXSNFSA-N
XLogP4.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methylphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(E)-2-(4-methylphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole (CID 6089462) is 2-[(E)-2-(4-methylphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(E)-2-(4-methylphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(E)-2-(4-methylphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole is Cc1ccc(/C=C/c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[(E)-2-(4-methylphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is PQHPYNGPKZJEBW-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H14N2O/c1-13-7-9-14(10-8-13)11-12-16-18-19-17(20-16)15-5-3-2-4-6-15/h2-12H,1H3/b12-11+.
What are the key properties of 2-[(E)-2-(4-methylphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole?
2-[(E)-2-(4-methylphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 262.31 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methylphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 6089462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).