N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide

C20H18FN5O2S — CID 55857526

About N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide

N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55857526) has the molecular formula C20H18FN5O2S and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
• PubChem CID: 55857526
• Molecular Formula: C20H18FN5O2S
• Molecular Weight: 411.46 g/mol
• Exact Mass: 411.12
• IUPAC Name: N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
• SMILES: Cc1nccn1-c1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1F
• InChI: InChI=1S/C20H18FN5O2S/c1-13-22-9-10-26(13)16-8-7-14(12-15(16)21)23-18(27)5-2-6-19-24-20(25-28-19)17-4-3-11-29-17/h3-4,7-12H,2,5-6H2,1H3,(H,23,27)
• InChIKey: VCYKNRXQZBVUEO-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.46
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?

The IUPAC name of N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 55857526) is N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

What is the SMILES notation for N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?

The canonical SMILES for N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide is Cc1nccn1-c1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1F.

What is the InChIKey of N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?

The InChIKey is VCYKNRXQZBVUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2S/c1-13-22-9-10-26(13)16-8-7-14(12-15(16)21)23-18(27)5-2-6-19-24-20(25-28-19)17-4-3-11-29-17/h3-4,7-12H,2,5-6H2,1H3,(H,23,27).

What are the key properties of N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?

N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 411.46 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55857526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).