2-[2-[2-[2-[2-[2-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-hydroxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C27H35FN2O9 — CID 143556785

About 2-[2-[2-[2-[2-[2-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-hydroxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[2-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-hydroxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 143556785) has the molecular formula C27H35FN2O9 and a molecular weight of 550.58 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-hydroxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-hydroxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 143556785
• Molecular Formula: C27H35FN2O9
• Molecular Weight: 550.58 g/mol
• Exact Mass: 550.23
• IUPAC Name: 2-[2-[2-[2-[2-[2-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-hydroxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• SMILES: OCCOCCOCCOCCOCCOCCOC(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1
• InChI: InChI=1S/C27H35FN2O9/c28-24-7-2-1-6-23(24)26-29-25(30-39-26)21-4-3-5-22(20-21)27(32)38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-9-8-31/h1-7,20,27,31-32H,8-19H2
• InChIKey: WILQGYSZRCVHTH-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 134.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 21
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.58
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-hydroxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[2-[2-[2-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-hydroxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 143556785) is 2-[2-[2-[2-[2-[2-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-hydroxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-hydroxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-hydroxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOCCOCCOCCOC(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-hydroxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The InChIKey is WILQGYSZRCVHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN2O9/c28-24-7-2-1-6-23(24)26-29-25(30-39-26)21-4-3-5-22(20-21)27(32)38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-9-8-31/h1-7,20,27,31-32H,8-19H2.

What are the key properties of 2-[2-[2-[2-[2-[2-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-hydroxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

2-[2-[2-[2-[2-[2-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-hydroxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 550.58 g/mol, XLogP of 2.63, 21 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-hydroxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 143556785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).