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

C22H14N2O2 — CID 71370304

IUPAC5-[4-(1-benzofuran-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3ccc(-c4cc5ccccc5o4)cc3)n2)cc1
InChIInChI=1S/C22H14N2O2/c1-2-6-16(7-3-1)21-23-22(26-24-21)17-12-10-15(11-13-17)20-14-18-8-4-5-9-19(18)25-20/h1-14H
InChIKeyZVQHINKBSOXXCM-UHFFFAOYSA-N
MW338.37 g/mol
LogP5.82
Rot. Bonds3

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

5-[4-(1-benzofuran-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 71370304) has the molecular formula C22H14N2O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-[4-(1-benzofuran-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(1-benzofuran-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID71370304
Molecular FormulaC22H14N2O2
Molecular Weight338.37 g/mol
Exact Mass338.11
IUPAC Name5-[4-(1-benzofuran-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3ccc(-c4cc5ccccc5o4)cc3)n2)cc1
InChIInChI=1S/C22H14N2O2/c1-2-6-16(7-3-1)21-23-22(26-24-21)17-12-10-15(11-13-17)20-14-18-8-4-5-9-19(18)25-20/h1-14H
InChIKeyZVQHINKBSOXXCM-UHFFFAOYSA-N
XLogP5.82
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.37
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-benzofuran-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(1-benzofuran-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole (CID 71370304) is 5-[4-(1-benzofuran-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(1-benzofuran-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(1-benzofuran-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole is c1ccc(-c2noc(-c3ccc(-c4cc5ccccc5o4)cc3)n2)cc1.
What is the InChIKey of 5-[4-(1-benzofuran-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is ZVQHINKBSOXXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O2/c1-2-6-16(7-3-1)21-23-22(26-24-21)17-12-10-15(11-13-17)20-14-18-8-4-5-9-19(18)25-20/h1-14H.
What are the key properties of 5-[4-(1-benzofuran-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole?
5-[4-(1-benzofuran-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 338.37 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-benzofuran-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 71370304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).