N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide

C23H19ClN2O3 — CID 23847828

About N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide

N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide (PubChem CID 23847828) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide
• PubChem CID: 23847828
• Molecular Formula: C23H19ClN2O3
• Molecular Weight: 406.87 g/mol
• Exact Mass: 406.11
• IUPAC Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide
• SMILES: Cc1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)cc1
• InChI: InChI=1S/C23H19ClN2O3/c1-14-3-8-18(9-4-14)28-13-22(27)25-19-11-16(6-5-15(19)2)23-26-20-12-17(24)7-10-21(20)29-23/h3-12H,13H2,1-2H3,(H,25,27)
• InChIKey: JROATYKYKJRPJG-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.87
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide?

The IUPAC name of N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide (CID 23847828) is N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide.

What is the SMILES notation for N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide?

The canonical SMILES for N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)cc1.

What is the InChIKey of N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide?

The InChIKey is JROATYKYKJRPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-14-3-8-18(9-4-14)28-13-22(27)25-19-11-16(6-5-15(19)2)23-26-20-12-17(24)7-10-21(20)29-23/h3-12H,13H2,1-2H3,(H,25,27).

What are the key properties of N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide?

N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 406.87 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 23847828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).