2-[[4-[[(Z)-3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]prop-1-enoxy]methyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione

C22H20N4O8 — CID 58840943

IUPAC2-[[4-[[(Z)-3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]prop-1-enoxy]methyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(CO/C=C\COc3ccc(Cn4oc(=O)[nH]c4=O)cc3)cc2)o1
InChIInChI=1S/C22H20N4O8/c27-19-23-21(29)33-25(19)12-15-2-4-17(5-3-15)14-31-10-1-11-32-18-8-6-16(7-9-18)13-26-20(28)24-22(30)34-26/h1-10H,11-14H2,(H,23,27,29)(H,24,28,30)/b10-1-
InChIKeyIHLUQPMNPAFKDR-LAFDYMOFSA-N
MW468.42 g/mol
LogP0.78
Rot. Bonds10

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

2-[[4-[[(Z)-3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]prop-1-enoxy]methyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 58840943) has the molecular formula C22H20N4O8 and a molecular weight of 468.42 g/mol. Its IUPAC name is 2-[[4-[[(Z)-3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]prop-1-enoxy]methyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-[[4-[[(Z)-3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]prop-1-enoxy]methyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID58840943
Molecular FormulaC22H20N4O8
Molecular Weight468.42 g/mol
Exact Mass468.13
IUPAC Name2-[[4-[[(Z)-3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]prop-1-enoxy]methyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(CO/C=C\COc3ccc(Cn4oc(=O)[nH]c4=O)cc3)cc2)o1
InChIInChI=1S/C22H20N4O8/c27-19-23-21(29)33-25(19)12-15-2-4-17(5-3-15)14-31-10-1-11-32-18-8-6-16(7-9-18)13-26-20(28)24-22(30)34-26/h1-10H,11-14H2,(H,23,27,29)(H,24,28,30)/b10-1-
InChIKeyIHLUQPMNPAFKDR-LAFDYMOFSA-N
XLogP0.78
TPSA154.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.42
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-[[4-[[(Z)-3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]prop-1-enoxy]methyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[(Z)-3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]prop-1-enoxy]methyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-[[4-[[(Z)-3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]prop-1-enoxy]methyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (CID 58840943) is 2-[[4-[[(Z)-3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]prop-1-enoxy]methyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-[[4-[[(Z)-3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]prop-1-enoxy]methyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-[[4-[[(Z)-3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]prop-1-enoxy]methyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is O=c1[nH]c(=O)n(Cc2ccc(CO/C=C\COc3ccc(Cn4oc(=O)[nH]c4=O)cc3)cc2)o1.
What is the InChIKey of 2-[[4-[[(Z)-3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]prop-1-enoxy]methyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is IHLUQPMNPAFKDR-LAFDYMOFSA-N. The full InChI is InChI=1S/C22H20N4O8/c27-19-23-21(29)33-25(19)12-15-2-4-17(5-3-15)14-31-10-1-11-32-18-8-6-16(7-9-18)13-26-20(28)24-22(30)34-26/h1-10H,11-14H2,(H,23,27,29)(H,24,28,30)/b10-1-.
What are the key properties of 2-[[4-[[(Z)-3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]prop-1-enoxy]methyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[[4-[[(Z)-3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]prop-1-enoxy]methyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 468.42 g/mol, XLogP of 0.78, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[(Z)-3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]prop-1-enoxy]methyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 58840943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).