2,5-bis(4-phenylphenyl)-3H-1,2,4-oxadiazole

C26H20N2O — CID 70116871

IUPAC2,5-bis(4-phenylphenyl)-3H-1,2,4-oxadiazole
SMILESc1ccc(-c2ccc(C3=NCN(c4ccc(-c5ccccc5)cc4)O3)cc2)cc1
InChIInChI=1S/C26H20N2O/c1-3-7-20(8-4-1)22-11-13-24(14-12-22)26-27-19-28(29-26)25-17-15-23(16-18-25)21-9-5-2-6-10-21/h1-18H,19H2
InChIKeyGZSMZQVCIYCXHH-UHFFFAOYSA-N
MW376.46 g/mol
LogP6.18
Rot. Bonds4

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

2,5-bis(4-phenylphenyl)-3H-1,2,4-oxadiazole (PubChem CID 70116871) has the molecular formula C26H20N2O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2,5-bis(4-phenylphenyl)-3H-1,2,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis(4-phenylphenyl)-3H-1,2,4-oxadiazole
PubChem CID70116871
Molecular FormulaC26H20N2O
Molecular Weight376.46 g/mol
Exact Mass376.16
IUPAC Name2,5-bis(4-phenylphenyl)-3H-1,2,4-oxadiazole
SMILESc1ccc(-c2ccc(C3=NCN(c4ccc(-c5ccccc5)cc4)O3)cc2)cc1
InChIInChI=1S/C26H20N2O/c1-3-7-20(8-4-1)22-11-13-24(14-12-22)26-27-19-28(29-26)25-17-15-23(16-18-25)21-9-5-2-6-10-21/h1-18H,19H2
InChIKeyGZSMZQVCIYCXHH-UHFFFAOYSA-N
XLogP6.18
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole
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1-methyl-4-(4-phenylphenyl)pyrazole
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1,1'-biphenyl;cycloheptane
CID 174877368
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
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CID 174363765
1,1'-biphenyl;hydroiodide
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CID 158742993

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-phenylphenyl)-3H-1,2,4-oxadiazole?
The IUPAC name of 2,5-bis(4-phenylphenyl)-3H-1,2,4-oxadiazole (CID 70116871) is 2,5-bis(4-phenylphenyl)-3H-1,2,4-oxadiazole.
What is the SMILES notation for 2,5-bis(4-phenylphenyl)-3H-1,2,4-oxadiazole?
The canonical SMILES for 2,5-bis(4-phenylphenyl)-3H-1,2,4-oxadiazole is c1ccc(-c2ccc(C3=NCN(c4ccc(-c5ccccc5)cc4)O3)cc2)cc1.
What is the InChIKey of 2,5-bis(4-phenylphenyl)-3H-1,2,4-oxadiazole?
The InChIKey is GZSMZQVCIYCXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O/c1-3-7-20(8-4-1)22-11-13-24(14-12-22)26-27-19-28(29-26)25-17-15-23(16-18-25)21-9-5-2-6-10-21/h1-18H,19H2.
What are the key properties of 2,5-bis(4-phenylphenyl)-3H-1,2,4-oxadiazole?
2,5-bis(4-phenylphenyl)-3H-1,2,4-oxadiazole has a molecular weight of 376.46 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-phenylphenyl)-3H-1,2,4-oxadiazole is sourced from PubChem (CID 70116871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).