2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide

C19H19N3O4S — CID 86264842

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide (PubChem CID 86264842) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
• PubChem CID: 86264842
• Molecular Formula: C19H19N3O4S
• Molecular Weight: 385.45 g/mol
• Exact Mass: 385.11
• IUPAC Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
• SMILES: Cc1noc(-c2ccsc2NC(=O)COc2cccc3c2OC(C)(C)C3)n1
• InChI: InChI=1S/C19H19N3O4S/c1-11-20-17(26-22-11)13-7-8-27-18(13)21-15(23)10-24-14-6-4-5-12-9-19(2,3)25-16(12)14/h4-8H,9-10H2,1-3H3,(H,21,23)
• InChIKey: YYFBNWOXRCPRAX-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.45
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide?

The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide (CID 86264842) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide.

What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide?

The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide is Cc1noc(-c2ccsc2NC(=O)COc2cccc3c2OC(C)(C)C3)n1.

What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide?

The InChIKey is YYFBNWOXRCPRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-11-20-17(26-22-11)13-7-8-27-18(13)21-15(23)10-24-14-6-4-5-12-9-19(2,3)25-16(12)14/h4-8H,9-10H2,1-3H3,(H,21,23).

What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide?

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide has a molecular weight of 385.45 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide is sourced from PubChem (CID 86264842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).