2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2,6-difluorophenoxy]phenoxy]-3,5-difluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione

C24H14F4N4O8 — CID 19038468

IUPAC2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2,6-difluorophenoxy]phenoxy]-3,5-difluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2cc(F)c(Oc3cccc(Oc4c(F)cc(Cn5oc(=O)[nH]c5=O)cc4F)c3)c(F)c2)o1
InChIInChI=1S/C24H14F4N4O8/c25-15-4-11(9-31-21(33)29-23(35)39-31)5-16(26)19(15)37-13-2-1-3-14(8-13)38-20-17(27)6-12(7-18(20)28)10-32-22(34)30-24(36)40-32/h1-8H,9-10H2,(H,29,33,35)(H,30,34,36)
InChIKeyQYBQTKACXKXKHV-UHFFFAOYSA-N
MW562.39 g/mol
LogP2.81
Rot. Bonds8

About 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2,6-difluorophenoxy]phenoxy]-3,5-difluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione

2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2,6-difluorophenoxy]phenoxy]-3,5-difluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 19038468) has the molecular formula C24H14F4N4O8 and a molecular weight of 562.39 g/mol. Its IUPAC name is 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2,6-difluorophenoxy]phenoxy]-3,5-difluorophenyl]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]-2,6-difluorophenoxy]phenoxy]-3,5-difluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID19038468
Molecular FormulaC24H14F4N4O8
Molecular Weight562.39 g/mol
Exact Mass562.07
IUPAC Name2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2,6-difluorophenoxy]phenoxy]-3,5-difluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2cc(F)c(Oc3cccc(Oc4c(F)cc(Cn5oc(=O)[nH]c5=O)cc4F)c3)c(F)c2)o1
InChIInChI=1S/C24H14F4N4O8/c25-15-4-11(9-31-21(33)29-23(35)39-31)5-16(26)19(15)37-13-2-1-3-14(8-13)38-20-17(27)6-12(7-18(20)28)10-32-22(34)30-24(36)40-32/h1-8H,9-10H2,(H,29,33,35)(H,30,34,36)
InChIKeyQYBQTKACXKXKHV-UHFFFAOYSA-N
XLogP2.81
TPSA154.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2,6-difluorophenoxy]phenoxy]-3,5-difluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2,6-difluorophenoxy]phenoxy]-3,5-difluorophenyl]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]-2,6-difluorophenoxy]phenoxy]-3,5-difluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (CID 19038468) is 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2,6-difluorophenoxy]phenoxy]-3,5-difluorophenyl]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]-2,6-difluorophenoxy]phenoxy]-3,5-difluorophenyl]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]-2,6-difluorophenoxy]phenoxy]-3,5-difluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is O=c1[nH]c(=O)n(Cc2cc(F)c(Oc3cccc(Oc4c(F)cc(Cn5oc(=O)[nH]c5=O)cc4F)c3)c(F)c2)o1.
What is the InChIKey of 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2,6-difluorophenoxy]phenoxy]-3,5-difluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is QYBQTKACXKXKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F4N4O8/c25-15-4-11(9-31-21(33)29-23(35)39-31)5-16(26)19(15)37-13-2-1-3-14(8-13)38-20-17(27)6-12(7-18(20)28)10-32-22(34)30-24(36)40-32/h1-8H,9-10H2,(H,29,33,35)(H,30,34,36).
What are the key properties of 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2,6-difluorophenoxy]phenoxy]-3,5-difluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2,6-difluorophenoxy]phenoxy]-3,5-difluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 562.39 g/mol, XLogP of 2.81, 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]-2,6-difluorophenoxy]phenoxy]-3,5-difluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 19038468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).