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

C27H28N2O5 — CID 15994049

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

2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 15994049) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
• PubChem CID: 15994049
• Molecular Formula: C27H28N2O5
• Molecular Weight: 460.53 g/mol
• Exact Mass: 460.20
• IUPAC Name: 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
• SMILES: COc1ccc(-c2nc3cc(NC(=O)COc4ccc(C(C)(C)C)cc4)ccc3o2)cc1OC
• InChI: InChI=1S/C27H28N2O5/c1-27(2,3)18-7-10-20(11-8-18)33-16-25(30)28-19-9-13-22-21(15-19)29-26(34-22)17-6-12-23(31-4)24(14-17)32-5/h6-15H,16H2,1-5H3,(H,28,30)
• InChIKey: PCYJZQMYMKTLJJ-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 82.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.53
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (CID 15994049) is 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.

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

The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is COc1ccc(-c2nc3cc(NC(=O)COc4ccc(C(C)(C)C)cc4)ccc3o2)cc1OC.

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

The InChIKey is PCYJZQMYMKTLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-27(2,3)18-7-10-20(11-8-18)33-16-25(30)28-19-9-13-22-21(15-19)29-26(34-22)17-6-12-23(31-4)24(14-17)32-5/h6-15H,16H2,1-5H3,(H,28,30).

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

2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 460.53 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 15994049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).