2-(1-benzofuran-2-yl)-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-oxadiazole

C21H18N2O5 — CID 73346279

IUPAC2-(1-benzofuran-2-yl)-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-oxadiazole
SMILESCOc1cc(/C=C/c2nnc(-c3cc4ccccc4o3)o2)cc(OC)c1OC
InChIInChI=1S/C21H18N2O5/c1-24-16-10-13(11-17(25-2)20(16)26-3)8-9-19-22-23-21(28-19)18-12-14-6-4-5-7-15(14)27-18/h4-12H,1-3H3/b9-8+
InChIKeyBNXZISZTKXZRRK-CMDGGOBGSA-N
MW378.38 g/mol
LogP4.68
Rot. Bonds6

About 2-(1-benzofuran-2-yl)-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-oxadiazole

2-(1-benzofuran-2-yl)-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-oxadiazole (PubChem CID 73346279) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-oxadiazole
PubChem CID73346279
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name2-(1-benzofuran-2-yl)-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-oxadiazole
SMILESCOc1cc(/C=C/c2nnc(-c3cc4ccccc4o3)o2)cc(OC)c1OC
InChIInChI=1S/C21H18N2O5/c1-24-16-10-13(11-17(25-2)20(16)26-3)8-9-19-22-23-21(28-19)18-12-14-6-4-5-7-15(14)27-18/h4-12H,1-3H3/b9-8+
InChIKeyBNXZISZTKXZRRK-CMDGGOBGSA-N
XLogP4.68
TPSA79.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1-benzofuran-2-yl)-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-oxadiazole (CID 73346279) is 2-(1-benzofuran-2-yl)-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-benzofuran-2-yl)-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-oxadiazole is COc1cc(/C=C/c2nnc(-c3cc4ccccc4o3)o2)cc(OC)c1OC.
What is the InChIKey of 2-(1-benzofuran-2-yl)-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-oxadiazole?
The InChIKey is BNXZISZTKXZRRK-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-24-16-10-13(11-17(25-2)20(16)26-3)8-9-19-22-23-21(28-19)18-12-14-6-4-5-7-15(14)27-18/h4-12H,1-3H3/b9-8+.
What are the key properties of 2-(1-benzofuran-2-yl)-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-oxadiazole?
2-(1-benzofuran-2-yl)-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-oxadiazole has a molecular weight of 378.38 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 73346279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).