2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-3,5-dimethoxyphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;2-ethoxy-N-methoxy-N-methyl-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide

C52H53Br2N5O13 — CID 160963163

About 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-3,5-dimethoxyphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;2-ethoxy-N-methoxy-N-methyl-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide

2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-3,5-dimethoxyphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;2-ethoxy-N-methoxy-N-methyl-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide (PubChem CID 160963163) has the molecular formula C52H53Br2N5O13 and a molecular weight of 1115.83 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-3,5-dimethoxyphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;2-ethoxy-N-methoxy-N-methyl-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-3,5-dimethoxyphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;2-ethoxy-N-methoxy-N-methyl-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
• PubChem CID: 160963163
• Molecular Formula: C52H53Br2N5O13
• Molecular Weight: 1115.83 g/mol
• Exact Mass: 1113.20
• IUPAC Name: 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-3,5-dimethoxyphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;2-ethoxy-N-methoxy-N-methyl-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
• SMILES: CCOC(C(=O)N(C)OC)c1ccc(-c2nnc(C)o2)cc1.CCOC(C(=O)c1ccc(-c2cc(OC)c(Br)c(OC)c2)o1)c1ccc(-c2nnc(C)o2)cc1.COc1cc(-c2ccco2)cc(OC)c1Br
• InChI: InChI=1S/C25H23BrN2O6.C15H19N3O4.C12H11BrO3/c1-5-32-24(15-6-8-16(9-7-15)25-28-27-14(2)33-25)23(29)19-11-10-18(34-19)17-12-20(30-3)22(26)21(13-17)31-4;1-5-21-13(15(19)18(3)20-4)11-6-8-12(9-7-11)14-17-16-10(2)22-14;1-14-10-6-8(9-4-3-5-16-9)7-11(15-2)12(10)13/h6-13,24H,5H2,1-4H3;6-9,13H,5H2,1-4H3;3-7H,1-2H3
• InChIKey: SXGNWVHUBRWJOK-UHFFFAOYSA-N
• XLogP: 11.91
• TPSA: 206.11 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1115.83
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-3,5-dimethoxyphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;2-ethoxy-N-methoxy-N-methyl-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?

The IUPAC name of 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-3,5-dimethoxyphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;2-ethoxy-N-methoxy-N-methyl-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide (CID 160963163) is 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-3,5-dimethoxyphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;2-ethoxy-N-methoxy-N-methyl-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide.

What is the SMILES notation for 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-3,5-dimethoxyphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;2-ethoxy-N-methoxy-N-methyl-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?

The canonical SMILES for 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-3,5-dimethoxyphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;2-ethoxy-N-methoxy-N-methyl-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide is CCOC(C(=O)N(C)OC)c1ccc(-c2nnc(C)o2)cc1.CCOC(C(=O)c1ccc(-c2cc(OC)c(Br)c(OC)c2)o1)c1ccc(-c2nnc(C)o2)cc1.COc1cc(-c2ccco2)cc(OC)c1Br.

What is the InChIKey of 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-3,5-dimethoxyphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;2-ethoxy-N-methoxy-N-methyl-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?

The InChIKey is SXGNWVHUBRWJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN2O6.C15H19N3O4.C12H11BrO3/c1-5-32-24(15-6-8-16(9-7-15)25-28-27-14(2)33-25)23(29)19-11-10-18(34-19)17-12-20(30-3)22(26)21(13-17)31-4;1-5-21-13(15(19)18(3)20-4)11-6-8-12(9-7-11)14-17-16-10(2)22-14;1-14-10-6-8(9-4-3-5-16-9)7-11(15-2)12(10)13/h6-13,24H,5H2,1-4H3;6-9,13H,5H2,1-4H3;3-7H,1-2H3.

What are the key properties of 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-3,5-dimethoxyphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;2-ethoxy-N-methoxy-N-methyl-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?

2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-3,5-dimethoxyphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;2-ethoxy-N-methoxy-N-methyl-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide has a molecular weight of 1115.83 g/mol, XLogP of 11.91, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-3,5-dimethoxyphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;2-ethoxy-N-methoxy-N-methyl-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 160963163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).