4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide

C26H23FN4O4 — CID 60546123

About 4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide

4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide (PubChem CID 60546123) has the molecular formula C26H23FN4O4 and a molecular weight of 474.49 g/mol. Its IUPAC name is 4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

• Compound Name: 4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide
• PubChem CID: 60546123
• Molecular Formula: C26H23FN4O4
• Molecular Weight: 474.49 g/mol
• Exact Mass: 474.17
• IUPAC Name: 4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide
• SMILES: COc1ccc(NC(=O)c2ccc(NC(=O)CCc3nc(-c4ccc(C)c(F)c4)no3)cc2)cc1
• InChI: InChI=1S/C26H23FN4O4/c1-16-3-4-18(15-22(16)27)25-30-24(35-31-25)14-13-23(32)28-19-7-5-17(6-8-19)26(33)29-20-9-11-21(34-2)12-10-20/h3-12,15H,13-14H2,1-2H3,(H,28,32)(H,29,33)
• InChIKey: LUDXRTJHDQUZSA-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 106.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.49
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide?

The IUPAC name of 4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide (CID 60546123) is 4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide.

What is the SMILES notation for 4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide?

The canonical SMILES for 4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)CCc3nc(-c4ccc(C)c(F)c4)no3)cc2)cc1.

What is the InChIKey of 4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide?

The InChIKey is LUDXRTJHDQUZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O4/c1-16-3-4-18(15-22(16)27)25-30-24(35-31-25)14-13-23(32)28-19-7-5-17(6-8-19)26(33)29-20-9-11-21(34-2)12-10-20/h3-12,15H,13-14H2,1-2H3,(H,28,32)(H,29,33).

What are the key properties of 4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide?

4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 474.49 g/mol, XLogP of 5.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 60546123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).