2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

C22H23F3N4O2 — CID 110119939

About 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 110119939) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 110119939
• Molecular Formula: C22H23F3N4O2
• Molecular Weight: 432.45 g/mol
• Exact Mass: 432.18
• IUPAC Name: 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
• SMILES: Cc1cc(C(F)F)n(CC(=O)N2CCCC(c3ncc(Cc4cccc(F)c4)o3)C2)n1
• InChI: InChI=1S/C22H23F3N4O2/c1-14-8-19(21(24)25)29(27-14)13-20(30)28-7-3-5-16(12-28)22-26-11-18(31-22)10-15-4-2-6-17(23)9-15/h2,4,6,8-9,11,16,21H,3,5,7,10,12-13H2,1H3
• InChIKey: LFUCPSAEZTVPCG-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 64.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.45
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (CID 110119939) is 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is Cc1cc(C(F)F)n(CC(=O)N2CCCC(c3ncc(Cc4cccc(F)c4)o3)C2)n1.

What is the InChIKey of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

The InChIKey is LFUCPSAEZTVPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-14-8-19(21(24)25)29(27-14)13-20(30)28-7-3-5-16(12-28)22-26-11-18(31-22)10-15-4-2-6-17(23)9-15/h2,4,6,8-9,11,16,21H,3,5,7,10,12-13H2,1H3.

What are the key properties of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 432.45 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110119939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).