N-(4-acetamidophenyl)-2-[ethyl-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]acetamide

C23H26FN5O3 — CID 78898514

About N-(4-acetamidophenyl)-2-[ethyl-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]acetamide

N-(4-acetamidophenyl)-2-[ethyl-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]acetamide (PubChem CID 78898514) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[ethyl-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(4-acetamidophenyl)-2-[ethyl-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]acetamide
• PubChem CID: 78898514
• Molecular Formula: C23H26FN5O3
• Molecular Weight: 439.49 g/mol
• Exact Mass: 439.20
• IUPAC Name: N-(4-acetamidophenyl)-2-[ethyl-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]acetamide
• SMILES: CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(C)c1nc(-c2ccc(F)c(C)c2)no1
• InChI: InChI=1S/C23H26FN5O3/c1-5-29(13-21(31)26-19-9-7-18(8-10-19)25-16(4)30)15(3)23-27-22(28-32-23)17-6-11-20(24)14(2)12-17/h6-12,15H,5,13H2,1-4H3,(H,25,30)(H,26,31)
• InChIKey: HACBCUULFFJWIB-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 100.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.49
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[ethyl-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]acetamide?

The IUPAC name of N-(4-acetamidophenyl)-2-[ethyl-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]acetamide (CID 78898514) is N-(4-acetamidophenyl)-2-[ethyl-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]acetamide.

What is the SMILES notation for N-(4-acetamidophenyl)-2-[ethyl-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]acetamide?

The canonical SMILES for N-(4-acetamidophenyl)-2-[ethyl-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]acetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(C)c1nc(-c2ccc(F)c(C)c2)no1.

What is the InChIKey of N-(4-acetamidophenyl)-2-[ethyl-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]acetamide?

The InChIKey is HACBCUULFFJWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-5-29(13-21(31)26-19-9-7-18(8-10-19)25-16(4)30)15(3)23-27-22(28-32-23)17-6-11-20(24)14(2)12-17/h6-12,15H,5,13H2,1-4H3,(H,25,30)(H,26,31).

What are the key properties of N-(4-acetamidophenyl)-2-[ethyl-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]acetamide?

N-(4-acetamidophenyl)-2-[ethyl-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]acetamide has a molecular weight of 439.49 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetamidophenyl)-2-[ethyl-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]acetamide is sourced from PubChem (CID 78898514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).