5-[3-(trifluoromethyl)phenyl]-3-[3-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole

C24H12F6N4O2 — CID 594996

IUPAC5-[3-(trifluoromethyl)phenyl]-3-[3-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2nc(-c3cccc(-c4noc(-c5cccc(C(F)(F)F)c5)n4)c3)no2)c1
InChIInChI=1S/C24H12F6N4O2/c25-23(26,27)17-8-2-6-15(11-17)21-31-19(33-35-21)13-4-1-5-14(10-13)20-32-22(36-34-20)16-7-3-9-18(12-16)24(28,29)30/h1-12H
InChIKeyIGKBMXLPELEAFT-UHFFFAOYSA-N
MW502.37 g/mol
LogP7.16
Rot. Bonds4

About 5-[3-(trifluoromethyl)phenyl]-3-[3-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole

5-[3-(trifluoromethyl)phenyl]-3-[3-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole (PubChem CID 594996) has the molecular formula C24H12F6N4O2 and a molecular weight of 502.37 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]-3-[3-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]-3-[3-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
PubChem CID594996
Molecular FormulaC24H12F6N4O2
Molecular Weight502.37 g/mol
Exact Mass502.09
IUPAC Name5-[3-(trifluoromethyl)phenyl]-3-[3-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2nc(-c3cccc(-c4noc(-c5cccc(C(F)(F)F)c5)n4)c3)no2)c1
InChIInChI=1S/C24H12F6N4O2/c25-23(26,27)17-8-2-6-15(11-17)21-31-19(33-35-21)13-4-1-5-14(10-13)20-32-22(36-34-20)16-7-3-9-18(12-16)24(28,29)30/h1-12H
InChIKeyIGKBMXLPELEAFT-UHFFFAOYSA-N
XLogP7.16
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.37
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]-3-[3-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]-3-[3-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole (CID 594996) is 5-[3-(trifluoromethyl)phenyl]-3-[3-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]-3-[3-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]-3-[3-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole is FC(F)(F)c1cccc(-c2nc(-c3cccc(-c4noc(-c5cccc(C(F)(F)F)c5)n4)c3)no2)c1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]-3-[3-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole?
The InChIKey is IGKBMXLPELEAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F6N4O2/c25-23(26,27)17-8-2-6-15(11-17)21-31-19(33-35-21)13-4-1-5-14(10-13)20-32-22(36-34-20)16-7-3-9-18(12-16)24(28,29)30/h1-12H.
What are the key properties of 5-[3-(trifluoromethyl)phenyl]-3-[3-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole?
5-[3-(trifluoromethyl)phenyl]-3-[3-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole has a molecular weight of 502.37 g/mol, XLogP of 7.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]-3-[3-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 594996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).