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

C20H17N3O4 — CID 40957009

IUPACN-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
SMILESCCOc1cccc2cc(-c3nnc(NC(=O)c4cccc(C)c4)o3)oc12
InChIInChI=1S/C20H17N3O4/c1-3-25-15-9-5-7-13-11-16(26-17(13)15)19-22-23-20(27-19)21-18(24)14-8-4-6-12(2)10-14/h4-11H,3H2,1-2H3,(H,21,23,24)
InChIKeyUMYFZNRLJICDIP-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.44
Rot. Bonds5

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

N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide (PubChem CID 40957009) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
PubChem CID40957009
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
SMILESCCOc1cccc2cc(-c3nnc(NC(=O)c4cccc(C)c4)o3)oc12
InChIInChI=1S/C20H17N3O4/c1-3-25-15-9-5-7-13-11-16(26-17(13)15)19-22-23-20(27-19)21-18(24)14-8-4-6-12(2)10-14/h4-11H,3H2,1-2H3,(H,21,23,24)
InChIKeyUMYFZNRLJICDIP-UHFFFAOYSA-N
XLogP4.44
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 40957047
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]furan-2-carboxamide
CID 40957083
2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 40957015
4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 40957022
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]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 40957071
3-(2-chlorophenyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 74732897
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide
CID 40956716
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 40957405
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]-3-methylbenzamide?
The IUPAC name of N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide (CID 40957009) is N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide is CCOc1cccc2cc(-c3nnc(NC(=O)c4cccc(C)c4)o3)oc12.
What is the InChIKey of N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide?
The InChIKey is UMYFZNRLJICDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-3-25-15-9-5-7-13-11-16(26-17(13)15)19-22-23-20(27-19)21-18(24)14-8-4-6-12(2)10-14/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]-3-methylbenzamide?
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide has a molecular weight of 363.37 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]-3-methylbenzamide is sourced from PubChem (CID 40957009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).