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

C26H26N2O4 — CID 17092662

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

2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 17092662) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
• PubChem CID: 17092662
• Molecular Formula: C26H26N2O4
• Molecular Weight: 430.50 g/mol
• Exact Mass: 430.19
• IUPAC Name: 2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
• SMILES: COc1cccc(-c2nc3cc(NC(=O)COc4ccc(C(C)(C)C)cc4)ccc3o2)c1
• InChI: InChI=1S/C26H26N2O4/c1-26(2,3)18-8-11-20(12-9-18)31-16-24(29)27-19-10-13-23-22(15-19)28-25(32-23)17-6-5-7-21(14-17)30-4/h5-15H,16H2,1-4H3,(H,27,29)
• InChIKey: NTIUVKNLYUZBNU-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.50
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (CID 17092662) is 2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.

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

The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is COc1cccc(-c2nc3cc(NC(=O)COc4ccc(C(C)(C)C)cc4)ccc3o2)c1.

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

The InChIKey is NTIUVKNLYUZBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-26(2,3)18-8-11-20(12-9-18)31-16-24(29)27-19-10-13-23-22(15-19)28-25(32-23)17-6-5-7-21(14-17)30-4/h5-15H,16H2,1-4H3,(H,27,29).

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

2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 430.50 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 17092662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).