N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide

C26H26N2O4 — CID 5027281

About N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide

N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide (PubChem CID 5027281) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

• Compound Name: N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide
• PubChem CID: 5027281
• Molecular Formula: C26H26N2O4
• Molecular Weight: 430.50 g/mol
• Exact Mass: 430.19
• IUPAC Name: N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide
• SMILES: COc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(OCC(C)C)cc4)c3)nc2c1
• InChI: InChI=1S/C26H26N2O4/c1-16(2)15-31-20-9-7-18(8-10-20)25(29)27-22-13-19(6-5-17(22)3)26-28-23-14-21(30-4)11-12-24(23)32-26/h5-14,16H,15H2,1-4H3,(H,27,29)
• InChIKey: KAWUVHZGYLWBDP-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.50
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide?

The IUPAC name of N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide (CID 5027281) is N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide.

What is the SMILES notation for N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide?

The canonical SMILES for N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide is COc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(OCC(C)C)cc4)c3)nc2c1.

What is the InChIKey of N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide?

The InChIKey is KAWUVHZGYLWBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-16(2)15-31-20-9-7-18(8-10-20)25(29)27-22-13-19(6-5-17(22)3)26-28-23-14-21(30-4)11-12-24(23)32-26/h5-14,16H,15H2,1-4H3,(H,27,29).

What are the key properties of N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide?

N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide has a molecular weight of 430.50 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 5027281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).