N-(6-acetamido-1,3-benzoxazol-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide

C20H13Cl2N3O4 — CID 39380610

About N-(6-acetamido-1,3-benzoxazol-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide

N-(6-acetamido-1,3-benzoxazol-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 39380610) has the molecular formula C20H13Cl2N3O4 and a molecular weight of 430.25 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzoxazol-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(6-acetamido-1,3-benzoxazol-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
• PubChem CID: 39380610
• Molecular Formula: C20H13Cl2N3O4
• Molecular Weight: 430.25 g/mol
• Exact Mass: 429.03
• IUPAC Name: N-(6-acetamido-1,3-benzoxazol-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
• SMILES: CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)oc2c1
• InChI: InChI=1S/C20H13Cl2N3O4/c1-10(26)23-12-3-5-15-18(9-12)29-20(24-15)25-19(27)17-7-6-16(28-17)13-4-2-11(21)8-14(13)22/h2-9H,1H3,(H,23,26)(H,24,25,27)
• InChIKey: LSJGPRAFADNUTH-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 97.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.25
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(6-acetamido-1,3-benzoxazol-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide (CID 39380610) is N-(6-acetamido-1,3-benzoxazol-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide.

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

The canonical SMILES for N-(6-acetamido-1,3-benzoxazol-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide is CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)oc2c1.

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

The InChIKey is LSJGPRAFADNUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O4/c1-10(26)23-12-3-5-15-18(9-12)29-20(24-15)25-19(27)17-7-6-16(28-17)13-4-2-11(21)8-14(13)22/h2-9H,1H3,(H,23,26)(H,24,25,27).

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

N-(6-acetamido-1,3-benzoxazol-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide has a molecular weight of 430.25 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-acetamido-1,3-benzoxazol-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 39380610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).