2-[4-[3-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]-5-ethyl-1,3,4-oxadiazole

C22H24ClF2N5O2 — CID 121304280

About 2-[4-[3-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]-5-ethyl-1,3,4-oxadiazole

2-[4-[3-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 121304280) has the molecular formula C22H24ClF2N5O2 and a molecular weight of 463.92 g/mol. Its IUPAC name is 2-[4-[3-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[4-[3-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]-5-ethyl-1,3,4-oxadiazole
• PubChem CID: 121304280
• Molecular Formula: C22H24ClF2N5O2
• Molecular Weight: 463.92 g/mol
• Exact Mass: 463.16
• IUPAC Name: 2-[4-[3-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]-5-ethyl-1,3,4-oxadiazole
• SMILES: CCc1nnc(-c2c(F)cc(OCCCC3CCN(c4cnc(Cl)cn4)CC3)cc2F)o1
• InChI: InChI=1S/C22H24ClF2N5O2/c1-2-20-28-29-22(32-20)21-16(24)10-15(11-17(21)25)31-9-3-4-14-5-7-30(8-6-14)19-13-26-18(23)12-27-19/h10-14H,2-9H2,1H3
• InChIKey: SPQCQGUIXURHAD-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 77.17 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.92
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]-5-ethyl-1,3,4-oxadiazole?

The IUPAC name of 2-[4-[3-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]-5-ethyl-1,3,4-oxadiazole (CID 121304280) is 2-[4-[3-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]-5-ethyl-1,3,4-oxadiazole.

What is the SMILES notation for 2-[4-[3-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]-5-ethyl-1,3,4-oxadiazole?

The canonical SMILES for 2-[4-[3-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(-c2c(F)cc(OCCCC3CCN(c4cnc(Cl)cn4)CC3)cc2F)o1.

What is the InChIKey of 2-[4-[3-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]-5-ethyl-1,3,4-oxadiazole?

The InChIKey is SPQCQGUIXURHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF2N5O2/c1-2-20-28-29-22(32-20)21-16(24)10-15(11-17(21)25)31-9-3-4-14-5-7-30(8-6-14)19-13-26-18(23)12-27-19/h10-14H,2-9H2,1H3.

What are the key properties of 2-[4-[3-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]-5-ethyl-1,3,4-oxadiazole?

2-[4-[3-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 463.92 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 121304280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).