3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole

C20H18N2O4 — CID 25110421

IUPAC3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3ccc4occc4c3)no2)cc1OCC
InChIInChI=1S/C20H18N2O4/c1-3-23-17-8-6-15(12-18(17)24-4-2)20-21-19(22-26-20)14-5-7-16-13(11-14)9-10-25-16/h5-12H,3-4H2,1-2H3
InChIKeyGHNQDEZSNLWFNG-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.95
Rot. Bonds6

About 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole

3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 25110421) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole
PubChem CID25110421
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3ccc4occc4c3)no2)cc1OCC
InChIInChI=1S/C20H18N2O4/c1-3-23-17-8-6-15(12-18(17)24-4-2)20-21-19(22-26-20)14-5-7-16-13(11-14)9-10-25-16/h5-12H,3-4H2,1-2H3
InChIKeyGHNQDEZSNLWFNG-UHFFFAOYSA-N
XLogP4.95
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole (CID 25110421) is 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3ccc4occc4c3)no2)cc1OCC.
What is the InChIKey of 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is GHNQDEZSNLWFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-3-23-17-8-6-15(12-18(17)24-4-2)20-21-19(22-26-20)14-5-7-16-13(11-14)9-10-25-16/h5-12H,3-4H2,1-2H3.
What are the key properties of 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole?
3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 350.37 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 25110421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).