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

C26H20F6N2O4 — CID 10482360

IUPAC2-[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(C(CCc2ccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c2ccccc2)o1
InChIInChI=1S/C26H20F6N2O4/c27-25(28,29)19-12-17(13-20(14-19)26(30,31)32)15-37-21-9-6-16(7-10-21)8-11-22(18-4-2-1-3-5-18)34-23(35)33-24(36)38-34/h1-7,9-10,12-14,22H,8,11,15H2,(H,33,35,36)
InChIKeyRMUYPFGDFNLDQB-UHFFFAOYSA-N
MW538.44 g/mol
LogP5.97
Rot. Bonds8

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

2-[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 10482360) has the molecular formula C26H20F6N2O4 and a molecular weight of 538.44 g/mol. Its IUPAC name is 2-[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID10482360
Molecular FormulaC26H20F6N2O4
Molecular Weight538.44 g/mol
Exact Mass538.13
IUPAC Name2-[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(C(CCc2ccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c2ccccc2)o1
InChIInChI=1S/C26H20F6N2O4/c27-25(28,29)19-12-17(13-20(14-19)26(30,31)32)15-37-21-9-6-16(7-10-21)8-11-22(18-4-2-1-3-5-18)34-23(35)33-24(36)38-34/h1-7,9-10,12-14,22H,8,11,15H2,(H,33,35,36)
InChIKeyRMUYPFGDFNLDQB-UHFFFAOYSA-N
XLogP5.97
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.44
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione (CID 10482360) is 2-[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione is O=c1[nH]c(=O)n(C(CCc2ccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c2ccccc2)o1.
What is the InChIKey of 2-[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is RMUYPFGDFNLDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F6N2O4/c27-25(28,29)19-12-17(13-20(14-19)26(30,31)32)15-37-21-9-6-16(7-10-21)8-11-22(18-4-2-1-3-5-18)34-23(35)33-24(36)38-34/h1-7,9-10,12-14,22H,8,11,15H2,(H,33,35,36).
What are the key properties of 2-[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 538.44 g/mol, XLogP of 5.97, 8 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]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 10482360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).