N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide

C25H24N2O3 — CID 5229076

About N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide

N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide (PubChem CID 5229076) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
• PubChem CID: 5229076
• Molecular Formula: C25H24N2O3
• Molecular Weight: 400.48 g/mol
• Exact Mass: 400.18
• IUPAC Name: N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
• SMILES: Cc1cc(C)c2oc(-c3cccc(NC(=O)COc4cccc(C)c4C)c3)nc2c1
• InChI: InChI=1S/C25H24N2O3/c1-15-11-17(3)24-21(12-15)27-25(30-24)19-8-6-9-20(13-19)26-23(28)14-29-22-10-5-7-16(2)18(22)4/h5-13H,14H2,1-4H3,(H,26,28)
• InChIKey: IFSZYYLFSHTPER-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.48
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide?

The IUPAC name of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide (CID 5229076) is N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide.

What is the SMILES notation for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide?

The canonical SMILES for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide is Cc1cc(C)c2oc(-c3cccc(NC(=O)COc4cccc(C)c4C)c3)nc2c1.

What is the InChIKey of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide?

The InChIKey is IFSZYYLFSHTPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-15-11-17(3)24-21(12-15)27-25(30-24)19-8-6-9-20(13-19)26-23(28)14-29-22-10-5-7-16(2)18(22)4/h5-13H,14H2,1-4H3,(H,26,28).

What are the key properties of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide?

N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide has a molecular weight of 400.48 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide is sourced from PubChem (CID 5229076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).