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

C24H12F6N4O2 — CID 594997

IUPAC5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2nc(-c3cccc(-c4noc(-c5ccc(C(F)(F)F)cc5)n4)c3)no2)cc1
InChIInChI=1S/C24H12F6N4O2/c25-23(26,27)17-8-4-13(5-9-17)21-31-19(33-35-21)15-2-1-3-16(12-15)20-32-22(36-34-20)14-6-10-18(11-7-14)24(28,29)30/h1-12H
InChIKeyDWYMGRIYFGZDFA-UHFFFAOYSA-N
MW502.37 g/mol
LogP7.16
Rot. Bonds4

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

5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole (PubChem CID 594997) has the molecular formula C24H12F6N4O2 and a molecular weight of 502.37 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
PubChem CID594997
Molecular FormulaC24H12F6N4O2
Molecular Weight502.37 g/mol
Exact Mass502.09
IUPAC Name5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2nc(-c3cccc(-c4noc(-c5ccc(C(F)(F)F)cc5)n4)c3)no2)cc1
InChIInChI=1S/C24H12F6N4O2/c25-23(26,27)17-8-4-13(5-9-17)21-31-19(33-35-21)15-2-1-3-16(12-15)20-32-22(36-34-20)14-6-10-18(11-7-14)24(28,29)30/h1-12H
InChIKeyDWYMGRIYFGZDFA-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

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

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Related Compounds

Sew2871
CID 4077460
3,5-Diphenyl-1,2,4-oxadiazole
CID 136695
4-[5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747214
4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
CID 10491405
5-(4-Methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 577305
5-(2-Naphthyl)-3-phenyl-1,2,4-oxadiazole
CID 3241690
3-(4-(5-(4-Cyclohexylphenyl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid
CID 44412882
5-(1-Naphthyl)-3-phenyl-1,2,4-oxadiazole
CID 659576
5-(2-Fluorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 2876651
3-Benzyl-5-phenyl-1,2,4-oxadiazole
CID 4215501
4-[5-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747338
4-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747341

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole (CID 594997) is 5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(-c2nc(-c3cccc(-c4noc(-c5ccc(C(F)(F)F)cc5)n4)c3)no2)cc1.
What is the InChIKey of 5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole?
The InChIKey is DWYMGRIYFGZDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F6N4O2/c25-23(26,27)17-8-4-13(5-9-17)21-31-19(33-35-21)15-2-1-3-16(12-15)20-32-22(36-34-20)14-6-10-18(11-7-14)24(28,29)30/h1-12H.
What are the key properties of 5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole?
5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(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-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 594997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).