2-(4-ethoxyphenyl)-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]acetamide

C21H19N3O5 — CID 40956967

IUPAC2-(4-ethoxyphenyl)-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCCOc1ccc(CC(=O)Nc2nnc(-c3cc4cccc(OC)c4o3)o2)cc1
InChIInChI=1S/C21H19N3O5/c1-3-27-15-9-7-13(8-10-15)11-18(25)22-21-24-23-20(29-21)17-12-14-5-4-6-16(26-2)19(14)28-17/h4-10,12H,3,11H2,1-2H3,(H,22,24,25)
InChIKeyQODUTCGBEVAMJV-UHFFFAOYSA-N
MW393.40 g/mol
LogP4.07
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]acetamide

2-(4-ethoxyphenyl)-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 40956967) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID40956967
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Name2-(4-ethoxyphenyl)-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCCOc1ccc(CC(=O)Nc2nnc(-c3cc4cccc(OC)c4o3)o2)cc1
InChIInChI=1S/C21H19N3O5/c1-3-27-15-9-7-13(8-10-15)11-18(25)22-21-24-23-20(29-21)17-12-14-5-4-6-16(26-2)19(14)28-17/h4-10,12H,3,11H2,1-2H3,(H,22,24,25)
InChIKeyQODUTCGBEVAMJV-UHFFFAOYSA-N
XLogP4.07
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 40957405
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 40957047
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 40957083
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 40956673
3-(4-chlorophenyl)sulfanyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 40956842
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 40956695
2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 40957015
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]-3-methylbenzamide
CID 40957009
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719065
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide
CID 42110962
4-(dimethylamino)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 40890071

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (CID 40956967) is 2-(4-ethoxyphenyl)-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is CCOc1ccc(CC(=O)Nc2nnc(-c3cc4cccc(OC)c4o3)o2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is QODUTCGBEVAMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-3-27-15-9-7-13(8-10-15)11-18(25)22-21-24-23-20(29-21)17-12-14-5-4-6-16(26-2)19(14)28-17/h4-10,12H,3,11H2,1-2H3,(H,22,24,25).
What are the key properties of 2-(4-ethoxyphenyl)-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-ethoxyphenyl)-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 393.40 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 40956967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).