N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide

C26H18Cl2N2O3 — CID 3928148

About N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide

N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide (PubChem CID 3928148) has the molecular formula C26H18Cl2N2O3 and a molecular weight of 477.35 g/mol. Its IUPAC name is N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
• PubChem CID: 3928148
• Molecular Formula: C26H18Cl2N2O3
• Molecular Weight: 477.35 g/mol
• Exact Mass: 476.07
• IUPAC Name: N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
• SMILES: Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nc5cc(Cl)cc(Cl)c5o4)c3)o2)cc1C
• InChI: InChI=1S/C26H18Cl2N2O3/c1-14-6-7-16(10-15(14)2)22-8-9-23(32-22)25(31)29-19-5-3-4-17(11-19)26-30-21-13-18(27)12-20(28)24(21)33-26/h3-13H,1-2H3,(H,29,31)
• InChIKey: CEEXHILZGVWVMO-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 N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide?

The IUPAC name of N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide (CID 3928148) is N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide.

What is the SMILES notation for N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide?

The canonical SMILES for N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide is Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nc5cc(Cl)cc(Cl)c5o4)c3)o2)cc1C.

What is the InChIKey of N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide?

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

What are the key properties of N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide?

N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-5-(3,4-dimethylphenyl)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 N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 3928148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).