2-(4-cyclohexylphenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

C28H28N2O4 — CID 17110910

About 2-(4-cyclohexylphenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

2-(4-cyclohexylphenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 17110910) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is 2-(4-cyclohexylphenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-cyclohexylphenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
• PubChem CID: 17110910
• Molecular Formula: C28H28N2O4
• Molecular Weight: 456.54 g/mol
• Exact Mass: 456.20
• IUPAC Name: 2-(4-cyclohexylphenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
• SMILES: COc1ccc(-c2nc3cc(NC(=O)COc4ccc(C5CCCCC5)cc4)ccc3o2)cc1
• InChI: InChI=1S/C28H28N2O4/c1-32-23-12-9-21(10-13-23)28-30-25-17-22(11-16-26(25)34-28)29-27(31)18-33-24-14-7-20(8-15-24)19-5-3-2-4-6-19/h7-17,19H,2-6,18H2,1H3,(H,29,31)
• InChIKey: YWWWZTXTTDQJQW-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.54
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(4-cyclohexylphenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (CID 17110910) is 2-(4-cyclohexylphenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.

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

The canonical SMILES for 2-(4-cyclohexylphenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is COc1ccc(-c2nc3cc(NC(=O)COc4ccc(C5CCCCC5)cc4)ccc3o2)cc1.

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

The InChIKey is YWWWZTXTTDQJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4/c1-32-23-12-9-21(10-13-23)28-30-25-17-22(11-16-26(25)34-28)29-27(31)18-33-24-14-7-20(8-15-24)19-5-3-2-4-6-19/h7-17,19H,2-6,18H2,1H3,(H,29,31).

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

2-(4-cyclohexylphenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 456.54 g/mol, XLogP of 6.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclohexylphenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 17110910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).