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

C25H24N2O4 — CID 1362782

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

N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 1362782) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide
• PubChem CID: 1362782
• Molecular Formula: C25H24N2O4
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.17
• IUPAC Name: N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide
• SMILES: CCc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccc(OC)cc4)c3)nc2c1
• InChI: InChI=1S/C25H24N2O4/c1-4-17-6-12-23-22(13-17)27-25(31-23)18-7-5-16(2)21(14-18)26-24(28)15-30-20-10-8-19(29-3)9-11-20/h5-14H,4,15H2,1-3H3,(H,26,28)
• InChIKey: JQPJIAULVKORGF-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide (CID 1362782) is N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide.

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

The canonical SMILES for N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide is CCc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccc(OC)cc4)c3)nc2c1.

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

The InChIKey is JQPJIAULVKORGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-4-17-6-12-23-22(13-17)27-25(31-23)18-7-5-16(2)21(14-18)26-24(28)15-30-20-10-8-19(29-3)9-11-20/h5-14H,4,15H2,1-3H3,(H,26,28).

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

N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 416.48 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 1362782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).