N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide

C17H13N3O5 — CID 40957083

IUPACN-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESCCOc1cccc2cc(-c3nnc(NC(=O)c4ccco4)o3)oc12
InChIInChI=1S/C17H13N3O5/c1-2-22-11-6-3-5-10-9-13(24-14(10)11)16-19-20-17(25-16)18-15(21)12-7-4-8-23-12/h3-9H,2H2,1H3,(H,18,20,21)
InChIKeyYSPKHZYNSWQHPR-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.73
Rot. Bonds5

About N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide

N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (PubChem CID 40957083) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
PubChem CID40957083
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC NameN-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESCCOc1cccc2cc(-c3nnc(NC(=O)c4ccco4)o3)oc12
InChIInChI=1S/C17H13N3O5/c1-2-22-11-6-3-5-10-9-13(24-14(10)11)16-19-20-17(25-16)18-15(21)12-7-4-8-23-12/h3-9H,2H2,1H3,(H,18,20,21)
InChIKeyYSPKHZYNSWQHPR-UHFFFAOYSA-N
XLogP3.73
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 40957047
2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 40957015
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 40957009
4-(dimethylamino)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 40890071
5-bromo-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 40957100
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 40957278
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 40957405
4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 40957022
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 43976295
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888894
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 40957071
2-(4-ethoxyphenyl)-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 40956967

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (CID 40957083) is N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is CCOc1cccc2cc(-c3nnc(NC(=O)c4ccco4)o3)oc12.
What is the InChIKey of N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The InChIKey is YSPKHZYNSWQHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5/c1-2-22-11-6-3-5-10-9-13(24-14(10)11)16-19-20-17(25-16)18-15(21)12-7-4-8-23-12/h3-9H,2H2,1H3,(H,18,20,21).
What are the key properties of N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide has a molecular weight of 339.31 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 40957083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).