N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C20H23FN4O2S — CID 60559206

About N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 60559206) has the molecular formula C20H23FN4O2S and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
• PubChem CID: 60559206
• Molecular Formula: C20H23FN4O2S
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.15
• IUPAC Name: N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
• SMILES: CN(C)CCN(Cc1ccc(F)cc1)C(=O)CCc1nc(-c2cccs2)no1
• InChI: InChI=1S/C20H23FN4O2S/c1-24(2)11-12-25(14-15-5-7-16(21)8-6-15)19(26)10-9-18-22-20(23-27-18)17-4-3-13-28-17/h3-8,13H,9-12,14H2,1-2H3
• InChIKey: WBFKMYHXJHEOPW-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 62.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 60559206) is N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CN(C)CCN(Cc1ccc(F)cc1)C(=O)CCc1nc(-c2cccs2)no1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The InChIKey is WBFKMYHXJHEOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2S/c1-24(2)11-12-25(14-15-5-7-16(21)8-6-15)19(26)10-9-18-22-20(23-27-18)17-4-3-13-28-17/h3-8,13H,9-12,14H2,1-2H3.

What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 402.50 g/mol, XLogP of 3.46, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 60559206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).