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

C26H16F6N4O8 — CID 19038448

IUPAC2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-3-(trifluoromethyl)phenoxy]phenoxy]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(Oc3cccc(Oc4ccc(Cn5oc(=O)[nH]c5=O)c(C(F)(F)F)c4)c3)cc2C(F)(F)F)o1
InChIInChI=1S/C26H16F6N4O8/c27-25(28,29)19-9-17(6-4-13(19)11-35-21(37)33-23(39)43-35)41-15-2-1-3-16(8-15)42-18-7-5-14(20(10-18)26(30,31)32)12-36-22(38)34-24(40)44-36/h1-10H,11-12H2,(H,33,37,39)(H,34,38,40)
InChIKeyKIJZYGQQGQIVCG-UHFFFAOYSA-N
MW626.42 g/mol
LogP4.29
Rot. Bonds8

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

2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-3-(trifluoromethyl)phenoxy]phenoxy]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 19038448) has the molecular formula C26H16F6N4O8 and a molecular weight of 626.42 g/mol. Its IUPAC name is 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-3-(trifluoromethyl)phenoxy]phenoxy]-2-(trifluoromethyl)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]-3-(trifluoromethyl)phenoxy]phenoxy]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID19038448
Molecular FormulaC26H16F6N4O8
Molecular Weight626.42 g/mol
Exact Mass626.09
IUPAC Name2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-3-(trifluoromethyl)phenoxy]phenoxy]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(Oc3cccc(Oc4ccc(Cn5oc(=O)[nH]c5=O)c(C(F)(F)F)c4)c3)cc2C(F)(F)F)o1
InChIInChI=1S/C26H16F6N4O8/c27-25(28,29)19-9-17(6-4-13(19)11-35-21(37)33-23(39)43-35)41-15-2-1-3-16(8-15)42-18-7-5-14(20(10-18)26(30,31)32)12-36-22(38)34-24(40)44-36/h1-10H,11-12H2,(H,33,37,39)(H,34,38,40)
InChIKeyKIJZYGQQGQIVCG-UHFFFAOYSA-N
XLogP4.29
TPSA154.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-3-(trifluoromethyl)phenoxy]phenoxy]-2-(trifluoromethyl)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]-3-(trifluoromethyl)phenoxy]phenoxy]-2-(trifluoromethyl)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]-3-(trifluoromethyl)phenoxy]phenoxy]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (CID 19038448) is 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-3-(trifluoromethyl)phenoxy]phenoxy]-2-(trifluoromethyl)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]-3-(trifluoromethyl)phenoxy]phenoxy]-2-(trifluoromethyl)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]-3-(trifluoromethyl)phenoxy]phenoxy]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is O=c1[nH]c(=O)n(Cc2ccc(Oc3cccc(Oc4ccc(Cn5oc(=O)[nH]c5=O)c(C(F)(F)F)c4)c3)cc2C(F)(F)F)o1.
What is the InChIKey of 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-3-(trifluoromethyl)phenoxy]phenoxy]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is KIJZYGQQGQIVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F6N4O8/c27-25(28,29)19-9-17(6-4-13(19)11-35-21(37)33-23(39)43-35)41-15-2-1-3-16(8-15)42-18-7-5-14(20(10-18)26(30,31)32)12-36-22(38)34-24(40)44-36/h1-10H,11-12H2,(H,33,37,39)(H,34,38,40).
What are the key properties of 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-3-(trifluoromethyl)phenoxy]phenoxy]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-3-(trifluoromethyl)phenoxy]phenoxy]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 626.42 g/mol, XLogP of 4.29, 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]-3-(trifluoromethyl)phenoxy]phenoxy]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 19038448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).