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

C23H17F3N2O4 — CID 11487548

IUPAC2-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2cccc(-c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)c2)o1
InChIInChI=1S/C23H17F3N2O4/c24-23(25,26)19-8-4-15(5-9-19)14-31-20-10-6-17(7-11-20)18-3-1-2-16(12-18)13-28-21(29)27-22(30)32-28/h1-12H,13-14H2,(H,27,29,30)
InChIKeyKBHQBXKGKWYMLV-UHFFFAOYSA-N
MW442.39 g/mol
LogP4.44
Rot. Bonds6

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

2-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 11487548) has the molecular formula C23H17F3N2O4 and a molecular weight of 442.39 g/mol. Its IUPAC name is 2-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID11487548
Molecular FormulaC23H17F3N2O4
Molecular Weight442.39 g/mol
Exact Mass442.11
IUPAC Name2-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2cccc(-c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)c2)o1
InChIInChI=1S/C23H17F3N2O4/c24-23(25,26)19-8-4-15(5-9-19)14-31-20-10-6-17(7-11-20)18-3-1-2-16(12-18)13-28-21(29)27-22(30)32-28/h1-12H,13-14H2,(H,27,29,30)
InChIKeyKBHQBXKGKWYMLV-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

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

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Related Compounds

2-[[4-[[3-[4-(2-Hydroxyethoxy)-2-methylphenyl]phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
CID 57787398
Sodium 2-[[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]methyl]-1-oxa-2-aza-4-azanidacyclopentane-3,5-dione
CID 44572094
2-{3-[4-(3-Chloro-benzyloxy)-phenyl]-1-phenyl-propyl}-[1,2,4]oxadiazolidine-3,5-dione
CID 10048688
2-{3-[4-(3,5-Bis-trifluoromethyl-benzyloxy)-phenyl]-1-phenyl-propyl}-[1,2,4]oxadiazolidine-3,5-dione
CID 10482360
(Z)-1,4-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-2-butene
CID 9890786
2-{3-[3-(3,5-Bis-trifluoromethyl-phenoxymethyl)-phenyl]-but-2-enyl}-[1,2,4]oxadiazolidine-3,5-dione
CID 10624333
2-{3-[3-(3,5-Bis-trifluoromethyl-benzyloxy)-phenyl]-but-2-enyl}-[1,2,4]oxadiazolidine-3,5-dione
CID 10648183
2-{(E)-3-[3-(Biphenyl-2-ylmethoxy)-phenyl]-but-2-enyl}-[1,2,4]oxadiazolidine-3,5-dione
CID 44343575
2-{(E)-1-Methyl-3-[4-(3-trifluoromethyl-benzyloxy)-phenyl]-allyl}-[1,2,4]oxadiazolidine-3,5-dione
CID 44343631
2-{(E)-3-[4-(3,5-Bis-trifluoromethyl-benzyloxy)-phenyl]-pent-2-enyl}-[1,2,4]oxadiazolidine-3,5-dione
CID 44343849
2-{(Z)-3-[3-(3,5-Bis-trifluoromethyl-phenoxymethyl)-phenyl]-but-2-enyl}-[1,2,4]oxadiazolidine-3,5-dione
CID 44343886
2-(3-{3-[3-(3,5-Bis-trifluoromethyl-phenyl)-prop-2-ynyloxy]-phenyl}-but-2-enyl)-[1,2,4]oxadiazolidine-3,5-dione
CID 10720131

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (CID 11487548) is 2-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is O=c1[nH]c(=O)n(Cc2cccc(-c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)c2)o1.
What is the InChIKey of 2-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is KBHQBXKGKWYMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O4/c24-23(25,26)19-8-4-15(5-9-19)14-31-20-10-6-17(7-11-20)18-3-1-2-16(12-18)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-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[[3-[4-[[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-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 11487548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).