2-[[4-[10-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]decoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione

C28H34N4O8 — CID 19038544

About 2-[[4-[10-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]decoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione

2-[[4-[10-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]decoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 19038544) has the molecular formula C28H34N4O8 and a molecular weight of 554.60 g/mol. Its IUPAC name is 2-[[4-[10-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]decoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

• Compound Name: 2-[[4-[10-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]decoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
• PubChem CID: 19038544
• Molecular Formula: C28H34N4O8
• Molecular Weight: 554.60 g/mol
• Exact Mass: 554.24
• IUPAC Name: 2-[[4-[10-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]decoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
• SMILES: O=c1[nH]c(=O)n(Cc2ccc(OCCCCCCCCCCOc3ccc(Cn4oc(=O)[nH]c4=O)cc3)cc2)o1
• InChI: InChI=1S/C28H34N4O8/c33-25-29-27(35)39-31(25)19-21-9-13-23(14-10-21)37-17-7-5-3-1-2-4-6-8-18-38-24-15-11-22(12-16-24)20-32-26(34)30-28(36)40-32/h9-16H,1-8,17-20H2,(H,29,33,35)(H,30,34,36)
• InChIKey: REDJOLXWFRBANN-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 154.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.60
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[10-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]decoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?

The IUPAC name of 2-[[4-[10-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]decoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (CID 19038544) is 2-[[4-[10-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]decoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.

What is the SMILES notation for 2-[[4-[10-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]decoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?

The canonical SMILES for 2-[[4-[10-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]decoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is O=c1[nH]c(=O)n(Cc2ccc(OCCCCCCCCCCOc3ccc(Cn4oc(=O)[nH]c4=O)cc3)cc2)o1.

What is the InChIKey of 2-[[4-[10-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]decoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?

The InChIKey is REDJOLXWFRBANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O8/c33-25-29-27(35)39-31(25)19-21-9-13-23(14-10-21)37-17-7-5-3-1-2-4-6-8-18-38-24-15-11-22(12-16-24)20-32-26(34)30-28(36)40-32/h9-16H,1-8,17-20H2,(H,29,33,35)(H,30,34,36).

What are the key properties of 2-[[4-[10-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]decoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?

2-[[4-[10-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]decoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 554.60 g/mol, XLogP of 3.25, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[10-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]decoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 19038544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).