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

C23H19ClN2O3 — CID 3646973

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

N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide (PubChem CID 3646973) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
• PubChem CID: 3646973
• Molecular Formula: C23H19ClN2O3
• Molecular Weight: 406.87 g/mol
• Exact Mass: 406.11
• IUPAC Name: N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
• SMILES: Cc1cccc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)c1
• InChI: InChI=1S/C23H19ClN2O3/c1-14-4-3-5-17(10-14)28-13-22(27)25-19-12-16(7-8-18(19)24)23-26-20-11-15(2)6-9-21(20)29-23/h3-12H,13H2,1-2H3,(H,25,27)
• InChIKey: QEWVDASEDLQLCZ-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-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide?

The IUPAC name of N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide (CID 3646973) is N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide.

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

The canonical SMILES for N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)c1.

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

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

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

N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-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-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 3646973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).