2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole

C27H20N2O — CID 158668516

IUPAC2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(Cc2ccccc2-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C27H20N2O/c1-3-9-20(10-4-1)19-24-13-7-8-14-25(24)21-15-17-23(18-16-21)27-29-28-26(30-27)22-11-5-2-6-12-22/h1-18H,19H2
InChIKeyMMGVZNBNOKITHU-UHFFFAOYSA-N
MW388.47 g/mol
LogP6.66
Rot. Bonds5

About 2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole

2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 158668516) has the molecular formula C27H20N2O and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID158668516
Molecular FormulaC27H20N2O
Molecular Weight388.47 g/mol
Exact Mass388.16
IUPAC Name2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(Cc2ccccc2-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C27H20N2O/c1-3-9-20(10-4-1)19-24-13-7-8-14-25(24)21-15-17-23(18-16-21)27-29-28-26(30-27)22-11-5-2-6-12-22/h1-18H,19H2
InChIKeyMMGVZNBNOKITHU-UHFFFAOYSA-N
XLogP6.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole (CID 158668516) is 2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(Cc2ccccc2-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1.
What is the InChIKey of 2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is MMGVZNBNOKITHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O/c1-3-9-20(10-4-1)19-24-13-7-8-14-25(24)21-15-17-23(18-16-21)27-29-28-26(30-27)22-11-5-2-6-12-22/h1-18H,19H2.
What are the key properties of 2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 388.47 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 158668516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).