5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-(3-nitro-4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

C81H74F10N12O12 — CID 159430864

IUPAC5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-(3-nitro-4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESCC(C)Cc1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1.COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c([N+](=O)[O-])c2)n1.FC(F)(F)Oc1ccccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1.O=[N+]([O-])c1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)ccc1N1CCCCC1
InChIInChI=1S/C21H19F3N2O2.C21H21FN4O4.C20H17F3N4O4.C19H17F3N2O2/c22-21(23,24)27-18-9-5-4-8-17(18)19-25-20(28-26-19)16-12-10-15(11-13-16)14-6-2-1-3-7-14;1-13-5-3-4-10-25(13)17-8-6-14(11-18(17)26(27)28)21-23-20(24-30-21)16-12-15(22)7-9-19(16)29-2;21-20(22,23)30-17-7-3-2-6-14(17)18-24-19(31-25-18)13-8-9-15(16(12-13)27(28)29)26-10-4-1-5-11-26;1-12(2)11-13-7-9-14(10-8-13)18-23-17(24-26-18)15-5-3-4-6-16(15)25-19(20,21)22/h4-5,8-14H,1-3,6-7H2;6-9,11-13H,3-5,10H2,1-2H3;2-3,6-9,12H,1,4-5,10-11H2;3-10,12H,11H2,1-2H3
InChIKeyLQYSXVSKBGRYBH-UHFFFAOYSA-N
MW1597.53 g/mol
LogP21.89
Rot. Bonds19

About 5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-(3-nitro-4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-(3-nitro-4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 159430864) has the molecular formula C81H74F10N12O12 and a molecular weight of 1597.53 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-(3-nitro-4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-(3-nitro-4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID159430864
Molecular FormulaC81H74F10N12O12
Molecular Weight1597.53 g/mol
Exact Mass1596.54
IUPAC Name5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-(3-nitro-4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESCC(C)Cc1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1.COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c([N+](=O)[O-])c2)n1.FC(F)(F)Oc1ccccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1.O=[N+]([O-])c1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)ccc1N1CCCCC1
InChIInChI=1S/C21H19F3N2O2.C21H21FN4O4.C20H17F3N4O4.C19H17F3N2O2/c22-21(23,24)27-18-9-5-4-8-17(18)19-25-20(28-26-19)16-12-10-15(11-13-16)14-6-2-1-3-7-14;1-13-5-3-4-10-25(13)17-8-6-14(11-18(17)26(27)28)21-23-20(24-30-21)16-12-15(22)7-9-19(16)29-2;21-20(22,23)30-17-7-3-2-6-14(17)18-24-19(31-25-18)13-8-9-15(16(12-13)27(28)29)26-10-4-1-5-11-26;1-12(2)11-13-7-9-14(10-8-13)18-23-17(24-26-18)15-5-3-4-6-16(15)25-19(20,21)22/h4-5,8-14H,1-3,6-7H2;6-9,11-13H,3-5,10H2,1-2H3;2-3,6-9,12H,1,4-5,10-11H2;3-10,12H,11H2,1-2H3
InChIKeyLQYSXVSKBGRYBH-UHFFFAOYSA-N
XLogP21.89
TPSA285.36 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001597.53
LogP ≤ 521.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-(3-nitro-4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

1-{4-[3-(5-Fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-YL]-2-nitrophenyl}-2-methylpiperidine
CID 25256387
1-{4-[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl}-4-phenylpiperazine
CID 16016064
N-cyclohexyl-N-methyl-2-nitro-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline
CID 25255875
5-[4-(2-Methylpiperidin-1-yl)-3-nitrophenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 25255973
3,3-Difluoro-1-{4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl}piperidine
CID 25255976
5-[4-(2,5-Dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 25256478
5-[4-(2,5-Dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 25256479
3-(5-Fluoro-2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[4-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]morpholine;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]morpholine;4-[2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine;5-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 157235670
N-[2-(3,3-difluoropiperidin-1-yl)-5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylsulfonylmethanesulfonamide;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methoxyphenyl)-3-methylphenyl]-1,2,4-oxadiazole
CID 157336483
3-(5-Fluoro-2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;4-[4-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]morpholine;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline;3-(2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[4-(4-methylthiophen-3-yl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 157528464
5-[4-(3,3-Difluoropiperidin-1-yl)-3-nitrophenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-ethoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-ethoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole;5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 157556555
5-(4-Cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-(3-nitro-4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 157639043

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-(3-nitro-4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-(3-nitro-4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 159430864) is 5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-(3-nitro-4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-(3-nitro-4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-(3-nitro-4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is CC(C)Cc1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1.COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c([N+](=O)[O-])c2)n1.FC(F)(F)Oc1ccccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1.O=[N+]([O-])c1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)ccc1N1CCCCC1.
What is the InChIKey of 5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-(3-nitro-4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is LQYSXVSKBGRYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2.C21H21FN4O4.C20H17F3N4O4.C19H17F3N2O2/c22-21(23,24)27-18-9-5-4-8-17(18)19-25-20(28-26-19)16-12-10-15(11-13-16)14-6-2-1-3-7-14;1-13-5-3-4-10-25(13)17-8-6-14(11-18(17)26(27)28)21-23-20(24-30-21)16-12-15(22)7-9-19(16)29-2;21-20(22,23)30-17-7-3-2-6-14(17)18-24-19(31-25-18)13-8-9-15(16(12-13)27(28)29)26-10-4-1-5-11-26;1-12(2)11-13-7-9-14(10-8-13)18-23-17(24-26-18)15-5-3-4-6-16(15)25-19(20,21)22/h4-5,8-14H,1-3,6-7H2;6-9,11-13H,3-5,10H2,1-2H3;2-3,6-9,12H,1,4-5,10-11H2;3-10,12H,11H2,1-2H3.
What are the key properties of 5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-(3-nitro-4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-(3-nitro-4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 1597.53 g/mol, XLogP of 21.89, 19 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-(3-nitro-4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 159430864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).