N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide

C25H20N2O3 — CID 1366787

About N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide

N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide (PubChem CID 1366787) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide
• PubChem CID: 1366787
• Molecular Formula: C25H20N2O3
• Molecular Weight: 396.45 g/mol
• Exact Mass: 396.15
• IUPAC Name: N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide
• SMILES: Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cc5ccccc5o4)c3)oc2cc1C
• InChI: InChI=1S/C25H20N2O3/c1-14-8-9-18(25-27-20-10-15(2)16(3)11-22(20)30-25)12-19(14)26-24(28)23-13-17-6-4-5-7-21(17)29-23/h4-13H,1-3H3,(H,26,28)
• InChIKey: QIRPANALJDXNGL-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 68.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide?

The IUPAC name of N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide (CID 1366787) is N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide is Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cc5ccccc5o4)c3)oc2cc1C.

What is the InChIKey of N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide?

The InChIKey is QIRPANALJDXNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-14-8-9-18(25-27-20-10-15(2)16(3)11-22(20)30-25)12-19(14)26-24(28)23-13-17-6-4-5-7-21(17)29-23/h4-13H,1-3H3,(H,26,28).

What are the key properties of N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide?

N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 6.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1366787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).