N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2-methylphenoxy)acetamide

C26H19ClN2O3 — CID 21213263

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

N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 21213263) has the molecular formula C26H19ClN2O3 and a molecular weight of 442.90 g/mol. Its IUPAC name is N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2-methylphenoxy)acetamide
• PubChem CID: 21213263
• Molecular Formula: C26H19ClN2O3
• Molecular Weight: 442.90 g/mol
• Exact Mass: 442.11
• IUPAC Name: N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2-methylphenoxy)acetamide
• SMILES: Cc1ccccc1OCC(=O)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1
• InChI: InChI=1S/C26H19ClN2O3/c1-16-6-2-3-11-23(16)31-15-25(30)28-17-12-13-24-22(14-17)29-26(32-24)20-9-4-8-19-18(20)7-5-10-21(19)27/h2-14H,15H2,1H3,(H,28,30)
• InChIKey: MQZGEXWAVVQFHU-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.90
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2-methylphenoxy)acetamide (CID 21213263) is N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2-methylphenoxy)acetamide.

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

The canonical SMILES for N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1.

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

The InChIKey is MQZGEXWAVVQFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN2O3/c1-16-6-2-3-11-23(16)31-15-25(30)28-17-12-13-24-22(14-17)29-26(32-24)20-9-4-8-19-18(20)7-5-10-21(19)27/h2-14H,15H2,1H3,(H,28,30).

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

N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 442.90 g/mol, XLogP of 6.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 21213263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).