N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide

C23H15ClN2O3 — CID 3124109

About N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide

N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 3124109) has the molecular formula C23H15ClN2O3 and a molecular weight of 402.84 g/mol. Its IUPAC name is N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
• PubChem CID: 3124109
• Molecular Formula: C23H15ClN2O3
• Molecular Weight: 402.84 g/mol
• Exact Mass: 402.08
• IUPAC Name: N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
• SMILES: Cc1ccc2nc(-c3cc(NC(=O)c4cc5ccccc5o4)ccc3Cl)oc2c1
• InChI: InChI=1S/C23H15ClN2O3/c1-13-6-9-18-20(10-13)29-23(26-18)16-12-15(7-8-17(16)24)25-22(27)21-11-14-4-2-3-5-19(14)28-21/h2-12H,1H3,(H,25,27)
• InChIKey: OHVFKISRGLNSKK-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 68.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.84
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide (CID 3124109) is N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide.

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

The canonical SMILES for N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide is Cc1ccc2nc(-c3cc(NC(=O)c4cc5ccccc5o4)ccc3Cl)oc2c1.

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

The InChIKey is OHVFKISRGLNSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O3/c1-13-6-9-18-20(10-13)29-23(26-18)16-12-15(7-8-17(16)24)25-22(27)21-11-14-4-2-3-5-19(14)28-21/h2-12H,1H3,(H,25,27).

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

N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 402.84 g/mol, XLogP of 6.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3124109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).