tert-butyl 2-[2-[2-[4-(5-methylsulfinyl-1,3,4-oxadiazol-2-yl)phenoxy]ethoxy]ethoxy]acetate

C19H26N2O7S — CID 177203858

About tert-butyl 2-[2-[2-[4-(5-methylsulfinyl-1,3,4-oxadiazol-2-yl)phenoxy]ethoxy]ethoxy]acetate

tert-butyl 2-[2-[2-[4-(5-methylsulfinyl-1,3,4-oxadiazol-2-yl)phenoxy]ethoxy]ethoxy]acetate (PubChem CID 177203858) has the molecular formula C19H26N2O7S and a molecular weight of 426.49 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-[4-(5-methylsulfinyl-1,3,4-oxadiazol-2-yl)phenoxy]ethoxy]ethoxy]acetate.

Molecular Properties

• Compound Name: tert-butyl 2-[2-[2-[4-(5-methylsulfinyl-1,3,4-oxadiazol-2-yl)phenoxy]ethoxy]ethoxy]acetate
• PubChem CID: 177203858
• Molecular Formula: C19H26N2O7S
• Molecular Weight: 426.49 g/mol
• Exact Mass: 426.15
• IUPAC Name: tert-butyl 2-[2-[2-[4-(5-methylsulfinyl-1,3,4-oxadiazol-2-yl)phenoxy]ethoxy]ethoxy]acetate
• SMILES: CS(=O)c1nnc(-c2ccc(OCCOCCOCC(=O)OC(C)(C)C)cc2)o1
• InChI: InChI=1S/C19H26N2O7S/c1-19(2,3)28-16(22)13-25-10-9-24-11-12-26-15-7-5-14(6-8-15)17-20-21-18(27-17)29(4)23/h5-8H,9-13H2,1-4H3
• InChIKey: FYWBXDZXDPNTKD-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 109.98 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.49
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-[4-(5-methylsulfinyl-1,3,4-oxadiazol-2-yl)phenoxy]ethoxy]ethoxy]acetate?

The IUPAC name of tert-butyl 2-[2-[2-[4-(5-methylsulfinyl-1,3,4-oxadiazol-2-yl)phenoxy]ethoxy]ethoxy]acetate (CID 177203858) is tert-butyl 2-[2-[2-[4-(5-methylsulfinyl-1,3,4-oxadiazol-2-yl)phenoxy]ethoxy]ethoxy]acetate.

What is the SMILES notation for tert-butyl 2-[2-[2-[4-(5-methylsulfinyl-1,3,4-oxadiazol-2-yl)phenoxy]ethoxy]ethoxy]acetate?

The canonical SMILES for tert-butyl 2-[2-[2-[4-(5-methylsulfinyl-1,3,4-oxadiazol-2-yl)phenoxy]ethoxy]ethoxy]acetate is CS(=O)c1nnc(-c2ccc(OCCOCCOCC(=O)OC(C)(C)C)cc2)o1.

What is the InChIKey of tert-butyl 2-[2-[2-[4-(5-methylsulfinyl-1,3,4-oxadiazol-2-yl)phenoxy]ethoxy]ethoxy]acetate?

The InChIKey is FYWBXDZXDPNTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O7S/c1-19(2,3)28-16(22)13-25-10-9-24-11-12-26-15-7-5-14(6-8-15)17-20-21-18(27-17)29(4)23/h5-8H,9-13H2,1-4H3.

What are the key properties of tert-butyl 2-[2-[2-[4-(5-methylsulfinyl-1,3,4-oxadiazol-2-yl)phenoxy]ethoxy]ethoxy]acetate?

tert-butyl 2-[2-[2-[4-(5-methylsulfinyl-1,3,4-oxadiazol-2-yl)phenoxy]ethoxy]ethoxy]acetate has a molecular weight of 426.49 g/mol, XLogP of 2.23, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[2-[2-[4-(5-methylsulfinyl-1,3,4-oxadiazol-2-yl)phenoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 177203858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).