3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylpropanamide

C25H25F2N5O2 — CID 55954378

About 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylpropanamide

3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylpropanamide (PubChem CID 55954378) has the molecular formula C25H25F2N5O2 and a molecular weight of 465.50 g/mol. Its IUPAC name is 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylpropanamide.

Molecular Properties

• Compound Name: 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylpropanamide
• PubChem CID: 55954378
• Molecular Formula: C25H25F2N5O2
• Molecular Weight: 465.50 g/mol
• Exact Mass: 465.20
• IUPAC Name: 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylpropanamide
• SMILES: Cc1ccc(-c2noc(CCC(=O)N(C)CCCc3cc(-c4cccc(F)c4)n[nH]3)n2)cc1F
• InChI: InChI=1S/C25H25F2N5O2/c1-16-8-9-18(14-21(16)27)25-28-23(34-31-25)10-11-24(33)32(2)12-4-7-20-15-22(30-29-20)17-5-3-6-19(26)13-17/h3,5-6,8-9,13-15H,4,7,10-12H2,1-2H3,(H,29,30)
• InChIKey: XMSOUGYDIKPABO-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 87.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.50
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylpropanamide?

The IUPAC name of 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylpropanamide (CID 55954378) is 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylpropanamide.

What is the SMILES notation for 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylpropanamide?

The canonical SMILES for 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylpropanamide is Cc1ccc(-c2noc(CCC(=O)N(C)CCCc3cc(-c4cccc(F)c4)n[nH]3)n2)cc1F.

What is the InChIKey of 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylpropanamide?

The InChIKey is XMSOUGYDIKPABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O2/c1-16-8-9-18(14-21(16)27)25-28-23(34-31-25)10-11-24(33)32(2)12-4-7-20-15-22(30-29-20)17-5-3-6-19(26)13-17/h3,5-6,8-9,13-15H,4,7,10-12H2,1-2H3,(H,29,30).

What are the key properties of 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylpropanamide?

3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylpropanamide has a molecular weight of 465.50 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylpropanamide is sourced from PubChem (CID 55954378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).