2-[[3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione

C23H17F3N2O4 — CID 11189939

IUPAC2-[[3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2cccc(-c3cccc(OCc4ccc(C(F)(F)F)cc4)c3)c2)o1
InChIInChI=1S/C23H17F3N2O4/c24-23(25,26)19-9-7-15(8-10-19)14-31-20-6-2-5-18(12-20)17-4-1-3-16(11-17)13-28-21(29)27-22(30)32-28/h1-12H,13-14H2,(H,27,29,30)
InChIKeyHYUMRPUIEBOKEU-UHFFFAOYSA-N
MW442.39 g/mol
LogP4.44
Rot. Bonds6

About 2-[[3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione

2-[[3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 11189939) has the molecular formula C23H17F3N2O4 and a molecular weight of 442.39 g/mol. Its IUPAC name is 2-[[3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-[[3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID11189939
Molecular FormulaC23H17F3N2O4
Molecular Weight442.39 g/mol
Exact Mass442.11
IUPAC Name2-[[3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2cccc(-c3cccc(OCc4ccc(C(F)(F)F)cc4)c3)c2)o1
InChIInChI=1S/C23H17F3N2O4/c24-23(25,26)19-9-7-15(8-10-19)14-31-20-6-2-5-18(12-20)17-4-1-3-16(11-17)13-28-21(29)27-22(30)32-28/h1-12H,13-14H2,(H,27,29,30)
InChIKeyHYUMRPUIEBOKEU-UHFFFAOYSA-N
XLogP4.44
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-[[3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (CID 11189939) is 2-[[3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-[[3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-[[3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is O=c1[nH]c(=O)n(Cc2cccc(-c3cccc(OCc4ccc(C(F)(F)F)cc4)c3)c2)o1.
What is the InChIKey of 2-[[3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is HYUMRPUIEBOKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O4/c24-23(25,26)19-9-7-15(8-10-19)14-31-20-6-2-5-18(12-20)17-4-1-3-16(11-17)13-28-21(29)27-22(30)32-28/h1-12H,13-14H2,(H,27,29,30).
What are the key properties of 2-[[3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[[3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 442.39 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 11189939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).