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

C24H17FN4O8 — CID 19038424

IUPAC2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-5-fluorophenoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(Oc3cc(F)cc(Oc4ccc(Cn5oc(=O)[nH]c5=O)cc4)c3)cc2)o1
InChIInChI=1S/C24H17FN4O8/c25-16-9-19(34-17-5-1-14(2-6-17)12-28-21(30)26-23(32)36-28)11-20(10-16)35-18-7-3-15(4-8-18)13-29-22(31)27-24(33)37-29/h1-11H,12-13H2,(H,26,30,32)(H,27,31,33)
InChIKeyYWMLYYJWFDBDIA-UHFFFAOYSA-N
MW508.42 g/mol
LogP2.39
Rot. Bonds8

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

2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-5-fluorophenoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 19038424) has the molecular formula C24H17FN4O8 and a molecular weight of 508.42 g/mol. Its IUPAC name is 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-5-fluorophenoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-5-fluorophenoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID19038424
Molecular FormulaC24H17FN4O8
Molecular Weight508.42 g/mol
Exact Mass508.10
IUPAC Name2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-5-fluorophenoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(Oc3cc(F)cc(Oc4ccc(Cn5oc(=O)[nH]c5=O)cc4)c3)cc2)o1
InChIInChI=1S/C24H17FN4O8/c25-16-9-19(34-17-5-1-14(2-6-17)12-28-21(30)26-23(32)36-28)11-20(10-16)35-18-7-3-15(4-8-18)13-29-22(31)27-24(33)37-29/h1-11H,12-13H2,(H,26,30,32)(H,27,31,33)
InChIKeyYWMLYYJWFDBDIA-UHFFFAOYSA-N
XLogP2.39
TPSA154.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-5-fluorophenoxy]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-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-5-fluorophenoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-5-fluorophenoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (CID 19038424) is 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-5-fluorophenoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-5-fluorophenoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-5-fluorophenoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is O=c1[nH]c(=O)n(Cc2ccc(Oc3cc(F)cc(Oc4ccc(Cn5oc(=O)[nH]c5=O)cc4)c3)cc2)o1.
What is the InChIKey of 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-5-fluorophenoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is YWMLYYJWFDBDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O8/c25-16-9-19(34-17-5-1-14(2-6-17)12-28-21(30)26-23(32)36-28)11-20(10-16)35-18-7-3-15(4-8-18)13-29-22(31)27-24(33)37-29/h1-11H,12-13H2,(H,26,30,32)(H,27,31,33).
What are the key properties of 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-5-fluorophenoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-5-fluorophenoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 508.42 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-5-fluorophenoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 19038424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).