2-(2,3-dimethylphenoxy)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide

C25H24N2O4 — CID 5134743

About 2-(2,3-dimethylphenoxy)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide

2-(2,3-dimethylphenoxy)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide (PubChem CID 5134743) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,3-dimethylphenoxy)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
• PubChem CID: 5134743
• Molecular Formula: C25H24N2O4
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.17
• IUPAC Name: 2-(2,3-dimethylphenoxy)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
• SMILES: COc1ccc2oc(-c3ccc(C)c(NC(=O)COc4cccc(C)c4C)c3)nc2c1
• InChI: InChI=1S/C25H24N2O4/c1-15-6-5-7-22(17(15)3)30-14-24(28)26-20-12-18(9-8-16(20)2)25-27-21-13-19(29-4)10-11-23(21)31-25/h5-13H,14H2,1-4H3,(H,26,28)
• InChIKey: FRDRTGXRTNUBHH-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide (CID 5134743) is 2-(2,3-dimethylphenoxy)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide.

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

The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide is COc1ccc2oc(-c3ccc(C)c(NC(=O)COc4cccc(C)c4C)c3)nc2c1.

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

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

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

2-(2,3-dimethylphenoxy)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide has a molecular weight of 416.48 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dimethylphenoxy)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide is sourced from PubChem (CID 5134743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).