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

C26H18Cl2N2O3 — CID 17117093

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

5-(2,3-dichlorophenyl)-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide (PubChem CID 17117093) has the molecular formula C26H18Cl2N2O3 and a molecular weight of 477.35 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2,3-dichlorophenyl)-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
• PubChem CID: 17117093
• Molecular Formula: C26H18Cl2N2O3
• Molecular Weight: 477.35 g/mol
• Exact Mass: 476.07
• IUPAC Name: 5-(2,3-dichlorophenyl)-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
• SMILES: Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(-c5cccc(Cl)c5Cl)o4)ccc3o2)c1
• InChI: InChI=1S/C26H18Cl2N2O3/c1-14-10-15(2)12-16(11-14)26-30-20-13-17(6-7-22(20)33-26)29-25(31)23-9-8-21(32-23)18-4-3-5-19(27)24(18)28/h3-13H,1-2H3,(H,29,31)
• InChIKey: XJWWLXLRCMJBLO-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 68.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.35
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-(2,3-dichlorophenyl)-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide (CID 17117093) is 5-(2,3-dichlorophenyl)-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-(2,3-dichlorophenyl)-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide is Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(-c5cccc(Cl)c5Cl)o4)ccc3o2)c1.

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

The InChIKey is XJWWLXLRCMJBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2N2O3/c1-14-10-15(2)12-16(11-14)26-30-20-13-17(6-7-22(20)33-26)29-25(31)23-9-8-21(32-23)18-4-3-5-19(27)24(18)28/h3-13H,1-2H3,(H,29,31).

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

5-(2,3-dichlorophenyl)-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide has a molecular weight of 477.35 g/mol, XLogP of 7.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dichlorophenyl)-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 17117093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).