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

C26H19ClN2O3 — CID 17078844

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

5-(4-chlorophenyl)-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]furan-2-carboxamide (PubChem CID 17078844) has the molecular formula C26H19ClN2O3 and a molecular weight of 442.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]furan-2-carboxamide
• PubChem CID: 17078844
• Molecular Formula: C26H19ClN2O3
• Molecular Weight: 442.90 g/mol
• Exact Mass: 442.11
• IUPAC Name: 5-(4-chlorophenyl)-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]furan-2-carboxamide
• SMILES: Cc1ccc2nc(-c3ccc(CNC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3)oc2c1
• InChI: InChI=1S/C26H19ClN2O3/c1-16-2-11-21-24(14-16)32-26(29-21)19-5-3-17(4-6-19)15-28-25(30)23-13-12-22(31-23)18-7-9-20(27)10-8-18/h2-14H,15H2,1H3,(H,28,30)
• InChIKey: JAUPOFNHSXZRGX-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 68.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.90
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-(4-chlorophenyl)-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]furan-2-carboxamide (CID 17078844) is 5-(4-chlorophenyl)-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]furan-2-carboxamide.

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

The canonical SMILES for 5-(4-chlorophenyl)-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]furan-2-carboxamide is Cc1ccc2nc(-c3ccc(CNC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3)oc2c1.

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

The InChIKey is JAUPOFNHSXZRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN2O3/c1-16-2-11-21-24(14-16)32-26(29-21)19-5-3-17(4-6-19)15-28-25(30)23-13-12-22(31-23)18-7-9-20(27)10-8-18/h2-14H,15H2,1H3,(H,28,30).

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

5-(4-chlorophenyl)-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 442.90 g/mol, XLogP of 6.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 17078844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).