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

C25H18F6N2O5 — CID 11364706

IUPAC2-[[3,5-bis[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2cc(OCc3ccc(C(F)(F)F)cc3)cc(OCc3ccc(C(F)(F)F)cc3)c2)o1
InChIInChI=1S/C25H18F6N2O5/c26-24(27,28)18-5-1-15(2-6-18)13-36-20-9-17(12-33-22(34)32-23(35)38-33)10-21(11-20)37-14-16-3-7-19(8-4-16)25(29,30)31/h1-11H,12-14H2,(H,32,34,35)
InChIKeyIPRPMSLRKTVGRV-UHFFFAOYSA-N
MW540.42 g/mol
LogP5.37
Rot. Bonds8

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

2-[[3,5-bis[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 11364706) has the molecular formula C25H18F6N2O5 and a molecular weight of 540.42 g/mol. Its IUPAC name is 2-[[3,5-bis[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-[[3,5-bis[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID11364706
Molecular FormulaC25H18F6N2O5
Molecular Weight540.42 g/mol
Exact Mass540.11
IUPAC Name2-[[3,5-bis[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2cc(OCc3ccc(C(F)(F)F)cc3)cc(OCc3ccc(C(F)(F)F)cc3)c2)o1
InChIInChI=1S/C25H18F6N2O5/c26-24(27,28)18-5-1-15(2-6-18)13-36-20-9-17(12-33-22(34)32-23(35)38-33)10-21(11-20)37-14-16-3-7-19(8-4-16)25(29,30)31/h1-11H,12-14H2,(H,32,34,35)
InChIKeyIPRPMSLRKTVGRV-UHFFFAOYSA-N
XLogP5.37
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.42
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-[[3,5-bis[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (CID 11364706) is 2-[[3,5-bis[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-[[3,5-bis[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-[[3,5-bis[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is O=c1[nH]c(=O)n(Cc2cc(OCc3ccc(C(F)(F)F)cc3)cc(OCc3ccc(C(F)(F)F)cc3)c2)o1.
What is the InChIKey of 2-[[3,5-bis[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is IPRPMSLRKTVGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F6N2O5/c26-24(27,28)18-5-1-15(2-6-18)13-36-20-9-17(12-33-22(34)32-23(35)38-33)10-21(11-20)37-14-16-3-7-19(8-4-16)25(29,30)31/h1-11H,12-14H2,(H,32,34,35).
What are the key properties of 2-[[3,5-bis[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[[3,5-bis[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 540.42 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 11364706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).