2-(4-bromophenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide

C23H19BrN2O3 — CID 5241506

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

2-(4-bromophenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 5241506) has the molecular formula C23H19BrN2O3 and a molecular weight of 451.32 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-bromophenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
• PubChem CID: 5241506
• Molecular Formula: C23H19BrN2O3
• Molecular Weight: 451.32 g/mol
• Exact Mass: 450.06
• IUPAC Name: 2-(4-bromophenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
• SMILES: Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(Br)cc4)ccc3o2)cc1C
• InChI: InChI=1S/C23H19BrN2O3/c1-14-3-4-16(11-15(14)2)23-26-20-12-18(7-10-21(20)29-23)25-22(27)13-28-19-8-5-17(24)6-9-19/h3-12H,13H2,1-2H3,(H,25,27)
• InChIKey: BACXGJAXZQMBER-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.32
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(4-bromophenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide (CID 5241506) is 2-(4-bromophenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide.

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

The canonical SMILES for 2-(4-bromophenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide is Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(Br)cc4)ccc3o2)cc1C.

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

The InChIKey is BACXGJAXZQMBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O3/c1-14-3-4-16(11-15(14)2)23-26-20-12-18(7-10-21(20)29-23)25-22(27)13-28-19-8-5-17(24)6-9-19/h3-12H,13H2,1-2H3,(H,25,27).

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

2-(4-bromophenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 451.32 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 5241506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).