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

C20H17N3O5 — CID 40957047

IUPACN-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
SMILESCCOc1cccc2cc(-c3nnc(NC(=O)c4ccc(OC)cc4)o3)oc12
InChIInChI=1S/C20H17N3O5/c1-3-26-15-6-4-5-13-11-16(27-17(13)15)19-22-23-20(28-19)21-18(24)12-7-9-14(25-2)10-8-12/h4-11H,3H2,1-2H3,(H,21,23,24)
InChIKeyWKLWJVFCAGIXJL-UHFFFAOYSA-N
MW379.37 g/mol
LogP4.14
Rot. Bonds6

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

N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide (PubChem CID 40957047) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
PubChem CID40957047
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC NameN-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
SMILESCCOc1cccc2cc(-c3nnc(NC(=O)c4ccc(OC)cc4)o3)oc12
InChIInChI=1S/C20H17N3O5/c1-3-26-15-6-4-5-13-11-16(27-17(13)15)19-22-23-20(28-19)21-18(24)12-7-9-14(25-2)10-8-12/h4-11H,3H2,1-2H3,(H,21,23,24)
InChIKeyWKLWJVFCAGIXJL-UHFFFAOYSA-N
XLogP4.14
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(dimethylamino)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 40890071
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 40957009
4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 40957022
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 40957071
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 40957083
2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 40957015
2-(4-ethoxyphenyl)-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 40956967
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-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975865
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide
CID 40956716
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide (CID 40957047) is N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide is CCOc1cccc2cc(-c3nnc(NC(=O)c4ccc(OC)cc4)o3)oc12.
What is the InChIKey of N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide?
The InChIKey is WKLWJVFCAGIXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-3-26-15-6-4-5-13-11-16(27-17(13)15)19-22-23-20(28-19)21-18(24)12-7-9-14(25-2)10-8-12/h4-11H,3H2,1-2H3,(H,21,23,24).
What are the key properties of N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide?
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide has a molecular weight of 379.37 g/mol, XLogP of 4.14, 6 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]-4-methoxybenzamide is sourced from PubChem (CID 40957047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).