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

C24H16F6N2O4 — CID 11306783

IUPAC2-[[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2cccc(-c3ccc(OCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)c2)o1
InChIInChI=1S/C24H16F6N2O4/c25-23(26,27)18-9-15(10-19(11-18)24(28,29)30)13-35-20-6-4-16(5-7-20)17-3-1-2-14(8-17)12-32-21(33)31-22(34)36-32/h1-11H,12-13H2,(H,31,33,34)
InChIKeyCYOPFZDTZULAFH-UHFFFAOYSA-N
MW510.39 g/mol
LogP5.46
Rot. Bonds6

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

2-[[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 11306783) has the molecular formula C24H16F6N2O4 and a molecular weight of 510.39 g/mol. Its IUPAC name is 2-[[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-[[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID11306783
Molecular FormulaC24H16F6N2O4
Molecular Weight510.39 g/mol
Exact Mass510.10
IUPAC Name2-[[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2cccc(-c3ccc(OCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)c2)o1
InChIInChI=1S/C24H16F6N2O4/c25-23(26,27)18-9-15(10-19(11-18)24(28,29)30)13-35-20-6-4-16(5-7-20)17-3-1-2-14(8-17)12-32-21(33)31-22(34)36-32/h1-11H,12-13H2,(H,31,33,34)
InChIKeyCYOPFZDTZULAFH-UHFFFAOYSA-N
XLogP5.46
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.39
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
CID 11487548
2-[[3-[[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
CID 10671245
2-[[4-[3-(4-nitrophenyl)phenoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
CID 139680218
2-[[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
CID 10643724
2-[[4-[10-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]decoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
CID 19038544
2-benzyl-1,2,4-oxadiazolidine-3,5-dione
CID 15307818
2-[[4-[(E)-4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]but-2-enoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
CID 18543975
[3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612416
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
2-[(E)-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynoxy]phenyl]but-2-enyl]-1,2,4-oxadiazolidine-3,5-dione
CID 10720131
2-[[4-[[(Z)-3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]prop-1-enoxy]methyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
CID 58840943
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-[[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (CID 11306783) is 2-[[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-[[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-[[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is O=c1[nH]c(=O)n(Cc2cccc(-c3ccc(OCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)c2)o1.
What is the InChIKey of 2-[[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is CYOPFZDTZULAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N2O4/c25-23(26,27)18-9-15(10-19(11-18)24(28,29)30)13-35-20-6-4-16(5-7-20)17-3-1-2-14(8-17)12-32-21(33)31-22(34)36-32/h1-11H,12-13H2,(H,31,33,34).
What are the key properties of 2-[[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 510.39 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 11306783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).