2-(3-methylphenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide

C25H24N2O3 — CID 7325875

About 2-(3-methylphenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide

2-(3-methylphenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 7325875) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(3-methylphenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
• PubChem CID: 7325875
• Molecular Formula: C25H24N2O3
• Molecular Weight: 400.48 g/mol
• Exact Mass: 400.18
• IUPAC Name: 2-(3-methylphenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
• SMILES: Cc1cccc(OCC(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c1
• InChI: InChI=1S/C25H24N2O3/c1-16(2)19-9-12-23-22(14-19)27-25(30-23)18-7-10-20(11-8-18)26-24(28)15-29-21-6-4-5-17(3)13-21/h4-14,16H,15H2,1-3H3,(H,26,28)
• InChIKey: LKDUGYGGXAHZII-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.48
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(3-methylphenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide (CID 7325875) is 2-(3-methylphenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide.

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

The canonical SMILES for 2-(3-methylphenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide is Cc1cccc(OCC(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c1.

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

The InChIKey is LKDUGYGGXAHZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-16(2)19-9-12-23-22(14-19)27-25(30-23)18-7-10-20(11-8-18)26-24(28)15-29-21-6-4-5-17(3)13-21/h4-14,16H,15H2,1-3H3,(H,26,28).

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

2-(3-methylphenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methylphenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 7325875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).