5-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide

C26H18Cl2N2O5 — CID 17128532

About 5-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide

5-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide (PubChem CID 17128532) has the molecular formula C26H18Cl2N2O5 and a molecular weight of 509.35 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
• PubChem CID: 17128532
• Molecular Formula: C26H18Cl2N2O5
• Molecular Weight: 509.35 g/mol
• Exact Mass: 508.06
• IUPAC Name: 5-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
• SMILES: COc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5cc(Cl)ccc5Cl)o4)ccc3o2)cc1OC
• InChI: InChI=1S/C26H18Cl2N2O5/c1-32-22-7-3-14(11-24(22)33-2)26-30-19-13-16(5-8-21(19)35-26)29-25(31)23-10-9-20(34-23)17-12-15(27)4-6-18(17)28/h3-13H,1-2H3,(H,29,31)
• InChIKey: AQSPKFFCTROABQ-UHFFFAOYSA-N
• XLogP: 7.33
• TPSA: 86.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.35
LogP ≤ 5	7.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?

The IUPAC name of 5-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide (CID 17128532) is 5-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide.

What is the SMILES notation for 5-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?

The canonical SMILES for 5-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide is COc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5cc(Cl)ccc5Cl)o4)ccc3o2)cc1OC.

What is the InChIKey of 5-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?

The InChIKey is AQSPKFFCTROABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2N2O5/c1-32-22-7-3-14(11-24(22)33-2)26-30-19-13-16(5-8-21(19)35-26)29-25(31)23-10-9-20(34-23)17-12-15(27)4-6-18(17)28/h3-13H,1-2H3,(H,29,31).

What are the key properties of 5-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?

5-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide has a molecular weight of 509.35 g/mol, XLogP of 7.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 17128532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).