5-(2,4-dichlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide

C25H16Cl2N2O3 — CID 17110645

About 5-(2,4-dichlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide

5-(2,4-dichlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide (PubChem CID 17110645) has the molecular formula C25H16Cl2N2O3 and a molecular weight of 463.32 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2,4-dichlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
• PubChem CID: 17110645
• Molecular Formula: C25H16Cl2N2O3
• Molecular Weight: 463.32 g/mol
• Exact Mass: 462.05
• IUPAC Name: 5-(2,4-dichlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
• SMILES: Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(-c5ccc(Cl)cc5Cl)o4)c3)oc2c1
• InChI: InChI=1S/C25H16Cl2N2O3/c1-14-5-8-20-23(11-14)32-25(29-20)15-3-2-4-17(12-15)28-24(30)22-10-9-21(31-22)18-7-6-16(26)13-19(18)27/h2-13H,1H3,(H,28,30)
• InChIKey: BAMDMFVMMKTTHC-UHFFFAOYSA-N
• XLogP: 7.62
• TPSA: 68.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.32
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide?

The IUPAC name of 5-(2,4-dichlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide (CID 17110645) is 5-(2,4-dichlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide.

What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide?

The canonical SMILES for 5-(2,4-dichlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide is Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(-c5ccc(Cl)cc5Cl)o4)c3)oc2c1.

What is the InChIKey of 5-(2,4-dichlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide?

The InChIKey is BAMDMFVMMKTTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2N2O3/c1-14-5-8-20-23(11-14)32-25(29-20)15-3-2-4-17(12-15)28-24(30)22-10-9-21(31-22)18-7-6-16(26)13-19(18)27/h2-13H,1H3,(H,28,30).

What are the key properties of 5-(2,4-dichlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide?

5-(2,4-dichlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 463.32 g/mol, XLogP of 7.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,4-dichlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 17110645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).