5-[3,5-bis(trifluoromethyl)phenyl]-3-naphthalen-1-yl-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole;difluoromethane;3-(3,5-difluorophenyl)-5-naphthalen-1-yl-1,2,4-oxadiazole;3-(3-methylphenyl)-5-[4-(4-phenylphenyl)phenyl]-1,2,4-oxadiazole;3-[3-methyl-5-(trifluoromethyl)phenyl]-5-naphthalen-1-yl-1,2,4-oxadiazole;5-naphthalen-1-yl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-naphthalen-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C254H167F37N24O12 — CID 158886033

IUPAC5-[3,5-bis(trifluoromethyl)phenyl]-3-naphthalen-1-yl-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole;difluoromethane;3-(3,5-difluorophenyl)-5-naphthalen-1-yl-1,2,4-oxadiazole;3-(3-methylphenyl)-5-[4-(4-phenylphenyl)phenyl]-1,2,4-oxadiazole;3-[3-methyl-5-(trifluoromethyl)phenyl]-5-naphthalen-1-yl-1,2,4-oxadiazole;5-naphthalen-1-yl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-naphthalen-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1cc(-c2noc(-c3ccc4ccc5cccc6ccc3c4c56)n2)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(-c2nc(-c3cc(F)cc(C(F)(F)F)c3)no2)cc1.Cc1cc(-c2noc(-c3cccc4ccccc34)n2)cc(C(F)(F)F)c1.Cc1cccc(-c2noc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)n2)c1.FC(F)(F)c1cc(-c2nc(-c3cccc4ccccc34)no2)cc(C(F)(F)F)c1.FC(F)(F)c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1.FC(F)(F)c1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)no2)c1.FC(F)(F)c1cccc(-c2nc(-c3ccc4ccccc4c3)no2)c1.FC(F)(F)c1cccc(-c2nc(-c3cccc4ccccc34)no2)c1.FC(F)(F)c1cccc(-c2noc(-c3cccc4ccccc34)n2)c1.FCF.Fc1c(F)c(F)c(-c2noc(-c3cccc4ccccc34)n2)c(F)c1F.Fc1cc(F)cc(-c2noc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C32H30N2O.C27H20N2O.2C21H13F3N2O.C20H10F6N2O.C20H13F3N2O.C19H16F4N2O.3C19H11F3N2O.C18H7F5N2O.C18H10F2N2O.CH2F2/c1-31(2,3)23-16-22(17-24(18-23)32(4,5)6)29-33-30(35-34-29)26-15-13-21-11-10-19-8-7-9-20-12-14-25(26)28(21)27(19)20;1-19-6-5-9-25(18-19)26-28-27(30-29-26)24-16-14-23(15-17-24)22-12-10-21(11-13-22)20-7-3-2-4-8-20;22-21(23,24)18-8-4-7-17(13-18)20-25-19(26-27-20)16-11-9-15(10-12-16)14-5-2-1-3-6-14;22-21(23,24)18-12-10-17(11-13-18)20-25-19(26-27-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14;21-19(22,23)13-8-12(9-14(10-13)20(24,25)26)18-27-17(28-29-18)16-7-3-5-11-4-1-2-6-15(11)16;1-12-9-14(11-15(10-12)20(21,22)23)18-24-19(26-25-18)17-8-4-6-13-5-2-3-7-16(13)17;1-18(2,3)13-6-4-11(5-7-13)17-24-16(25-26-17)12-8-14(19(21,22)23)10-15(20)9-12;20-19(21,22)14-8-3-7-13(11-14)18-23-17(24-25-18)16-10-4-6-12-5-1-2-9-15(12)16;20-19(21,22)14-8-3-7-13(11-14)17-23-18(25-24-17)16-10-4-6-12-5-1-2-9-15(12)16;20-19(21,22)16-7-3-6-15(11-16)18-23-17(24-25-18)14-9-8-12-4-1-2-5-13(12)10-14;19-12-11(13(20)15(22)16(23)14(12)21)17-24-18(26-25-17)10-7-3-5-8-4-1-2-6-9(8)10;19-13-8-12(9-14(20)10-13)17-21-18(23-22-17)16-7-3-5-11-4-1-2-6-15(11)16;2-1-3/h7-18H,1-6H3;2-18H,1H3;2*1-13H;1-10H;2-11H,1H3;4-10H,1-3H3;3*1-11H;1-7H;1-10H;1H2
InChIKeyJDQHSZRPYOPIBM-UHFFFAOYSA-N
MW4450.21 g/mol
LogP74.16
Rot. Bonds28

About 5-[3,5-bis(trifluoromethyl)phenyl]-3-naphthalen-1-yl-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole;difluoromethane;3-(3,5-difluorophenyl)-5-naphthalen-1-yl-1,2,4-oxadiazole;3-(3-methylphenyl)-5-[4-(4-phenylphenyl)phenyl]-1,2,4-oxadiazole;3-[3-methyl-5-(trifluoromethyl)phenyl]-5-naphthalen-1-yl-1,2,4-oxadiazole;5-naphthalen-1-yl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-naphthalen-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-[3,5-bis(trifluoromethyl)phenyl]-3-naphthalen-1-yl-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole;difluoromethane;3-(3,5-difluorophenyl)-5-naphthalen-1-yl-1,2,4-oxadiazole;3-(3-methylphenyl)-5-[4-(4-phenylphenyl)phenyl]-1,2,4-oxadiazole;3-[3-methyl-5-(trifluoromethyl)phenyl]-5-naphthalen-1-yl-1,2,4-oxadiazole;5-naphthalen-1-yl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-naphthalen-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 158886033) has the molecular formula C254H167F37N24O12 and a molecular weight of 4450.21 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-3-naphthalen-1-yl-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole;difluoromethane;3-(3,5-difluorophenyl)-5-naphthalen-1-yl-1,2,4-oxadiazole;3-(3-methylphenyl)-5-[4-(4-phenylphenyl)phenyl]-1,2,4-oxadiazole;3-[3-methyl-5-(trifluoromethyl)phenyl]-5-naphthalen-1-yl-1,2,4-oxadiazole;5-naphthalen-1-yl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-naphthalen-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3,5-bis(trifluoromethyl)phenyl]-3-naphthalen-1-yl-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole;difluoromethane;3-(3,5-difluorophenyl)-5-naphthalen-1-yl-1,2,4-oxadiazole;3-(3-methylphenyl)-5-[4-(4-phenylphenyl)phenyl]-1,2,4-oxadiazole;3-[3-methyl-5-(trifluoromethyl)phenyl]-5-naphthalen-1-yl-1,2,4-oxadiazole;5-naphthalen-1-yl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-naphthalen-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID158886033
Molecular FormulaC254H167F37N24O12
Molecular Weight4450.21 g/mol
Exact Mass4447.26
IUPAC Name5-[3,5-bis(trifluoromethyl)phenyl]-3-naphthalen-1-yl-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole;difluoromethane;3-(3,5-difluorophenyl)-5-naphthalen-1-yl-1,2,4-oxadiazole;3-(3-methylphenyl)-5-[4-(4-phenylphenyl)phenyl]-1,2,4-oxadiazole;3-[3-methyl-5-(trifluoromethyl)phenyl]-5-naphthalen-1-yl-1,2,4-oxadiazole;5-naphthalen-1-yl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-naphthalen-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1cc(-c2noc(-c3ccc4ccc5cccc6ccc3c4c56)n2)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(-c2nc(-c3cc(F)cc(C(F)(F)F)c3)no2)cc1.Cc1cc(-c2noc(-c3cccc4ccccc34)n2)cc(C(F)(F)F)c1.Cc1cccc(-c2noc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)n2)c1.FC(F)(F)c1cc(-c2nc(-c3cccc4ccccc34)no2)cc(C(F)(F)F)c1.FC(F)(F)c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1.FC(F)(F)c1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)no2)c1.FC(F)(F)c1cccc(-c2nc(-c3ccc4ccccc4c3)no2)c1.FC(F)(F)c1cccc(-c2nc(-c3cccc4ccccc34)no2)c1.FC(F)(F)c1cccc(-c2noc(-c3cccc4ccccc34)n2)c1.FCF.Fc1c(F)c(F)c(-c2noc(-c3cccc4ccccc34)n2)c(F)c1F.Fc1cc(F)cc(-c2noc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C32H30N2O.C27H20N2O.2C21H13F3N2O.C20H10F6N2O.C20H13F3N2O.C19H16F4N2O.3C19H11F3N2O.C18H7F5N2O.C18H10F2N2O.CH2F2/c1-31(2,3)23-16-22(17-24(18-23)32(4,5)6)29-33-30(35-34-29)26-15-13-21-11-10-19-8-7-9-20-12-14-25(26)28(21)27(19)20;1-19-6-5-9-25(18-19)26-28-27(30-29-26)24-16-14-23(15-17-24)22-12-10-21(11-13-22)20-7-3-2-4-8-20;22-21(23,24)18-8-4-7-17(13-18)20-25-19(26-27-20)16-11-9-15(10-12-16)14-5-2-1-3-6-14;22-21(23,24)18-12-10-17(11-13-18)20-25-19(26-27-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14;21-19(22,23)13-8-12(9-14(10-13)20(24,25)26)18-27-17(28-29-18)16-7-3-5-11-4-1-2-6-15(11)16;1-12-9-14(11-15(10-12)20(21,22)23)18-24-19(26-25-18)17-8-4-6-13-5-2-3-7-16(13)17;1-18(2,3)13-6-4-11(5-7-13)17-24-16(25-26-17)12-8-14(19(21,22)23)10-15(20)9-12;20-19(21,22)14-8-3-7-13(11-14)18-23-17(24-25-18)16-10-4-6-12-5-1-2-9-15(12)16;20-19(21,22)14-8-3-7-13(11-14)17-23-18(25-24-17)16-10-4-6-12-5-1-2-9-15(12)16;20-19(21,22)16-7-3-6-15(11-16)18-23-17(24-25-18)14-9-8-12-4-1-2-5-13(12)10-14;19-12-11(13(20)15(22)16(23)14(12)21)17-24-18(26-25-17)10-7-3-5-8-4-1-2-6-9(8)10;19-13-8-12(9-14(20)10-13)17-21-18(23-22-17)16-7-3-5-11-4-1-2-6-15(11)16;2-1-3/h7-18H,1-6H3;2-18H,1H3;2*1-13H;1-10H;2-11H,1H3;4-10H,1-3H3;3*1-11H;1-7H;1-10H;1H2
InChIKeyJDQHSZRPYOPIBM-UHFFFAOYSA-N
XLogP74.16
TPSA467.04 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms327
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004450.21
LogP ≤ 574.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 5-[3,5-bis(trifluoromethyl)phenyl]-3-naphthalen-1-yl-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole;difluoromethane;3-(3,5-difluorophenyl)-5-naphthalen-1-yl-1,2,4-oxadiazole;3-(3-methylphenyl)-5-[4-(4-phenylphenyl)phenyl]-1,2,4-oxadiazole;3-[3-methyl-5-(trifluoromethyl)phenyl]-5-naphthalen-1-yl-1,2,4-oxadiazole;5-naphthalen-1-yl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-naphthalen-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[6-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole
CID 90785955
3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19324593
9,10-bis(3,5-difluorophenyl)anthracene;9-[3,5-bis(trifluoromethyl)phenyl]-10-(3,5-dimethylphenyl)anthracene;2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2,6-ditert-butyl-9,10-bis(4-phenylphenyl)anthracene
CID 158406576
5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 25110321
5,16-bis(4-tert-butylphenyl)-8,8,13,13-tetramethyl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene;8,8,13,13-tetramethyl-5,16-bis(3-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene;8,8,13,13-tetramethyl-5,16-bis(4-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene;8,8,13,13-tetramethyl-5,16-dinaphthalen-1-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene;8,8,13,13-tetramethyl-5,16-dinaphthalen-2-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene;8,8,13,13-tetramethyl-5,16-diphenyl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 159078124
5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole
CID 160804234
3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 25110336
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene
CID 89225794
[3,8-bis(3-tert-butylphenyl)pyren-1-yl]-bis(2,4,6-trimethylphenyl)borane;[3,8-bis(3-methylphenyl)pyren-1-yl]-bis(2,4,6-trimethylphenyl)borane;(3,8-dinaphthalen-2-ylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane
CID 158491496
7-tert-butyl-1-(6-phenanthren-1-ylnaphthalen-2-yl)pyrene
CID 59629654
5-[4-[3-(3-naphthalen-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-3-phenyl-1,2,4-oxadiazole;5-[4-[3-(3-naphthalen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-3-phenyl-1,2,4-oxadiazole;3-phenyl-5-[4-[3-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-1,2,4-oxadiazole
CID 159091440

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-naphthalen-1-yl-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole;difluoromethane;3-(3,5-difluorophenyl)-5-naphthalen-1-yl-1,2,4-oxadiazole;3-(3-methylphenyl)-5-[4-(4-phenylphenyl)phenyl]-1,2,4-oxadiazole;3-[3-methyl-5-(trifluoromethyl)phenyl]-5-naphthalen-1-yl-1,2,4-oxadiazole;5-naphthalen-1-yl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-naphthalen-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-naphthalen-1-yl-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole;difluoromethane;3-(3,5-difluorophenyl)-5-naphthalen-1-yl-1,2,4-oxadiazole;3-(3-methylphenyl)-5-[4-(4-phenylphenyl)phenyl]-1,2,4-oxadiazole;3-[3-methyl-5-(trifluoromethyl)phenyl]-5-naphthalen-1-yl-1,2,4-oxadiazole;5-naphthalen-1-yl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-naphthalen-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 158886033) is 5-[3,5-bis(trifluoromethyl)phenyl]-3-naphthalen-1-yl-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole;difluoromethane;3-(3,5-difluorophenyl)-5-naphthalen-1-yl-1,2,4-oxadiazole;3-(3-methylphenyl)-5-[4-(4-phenylphenyl)phenyl]-1,2,4-oxadiazole;3-[3-methyl-5-(trifluoromethyl)phenyl]-5-naphthalen-1-yl-1,2,4-oxadiazole;5-naphthalen-1-yl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-naphthalen-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-3-naphthalen-1-yl-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole;difluoromethane;3-(3,5-difluorophenyl)-5-naphthalen-1-yl-1,2,4-oxadiazole;3-(3-methylphenyl)-5-[4-(4-phenylphenyl)phenyl]-1,2,4-oxadiazole;3-[3-methyl-5-(trifluoromethyl)phenyl]-5-naphthalen-1-yl-1,2,4-oxadiazole;5-naphthalen-1-yl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-naphthalen-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-3-naphthalen-1-yl-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole;difluoromethane;3-(3,5-difluorophenyl)-5-naphthalen-1-yl-1,2,4-oxadiazole;3-(3-methylphenyl)-5-[4-(4-phenylphenyl)phenyl]-1,2,4-oxadiazole;3-[3-methyl-5-(trifluoromethyl)phenyl]-5-naphthalen-1-yl-1,2,4-oxadiazole;5-naphthalen-1-yl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-naphthalen-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is CC(C)(C)c1cc(-c2noc(-c3ccc4ccc5cccc6ccc3c4c56)n2)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(-c2nc(-c3cc(F)cc(C(F)(F)F)c3)no2)cc1.Cc1cc(-c2noc(-c3cccc4ccccc34)n2)cc(C(F)(F)F)c1.Cc1cccc(-c2noc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)n2)c1.FC(F)(F)c1cc(-c2nc(-c3cccc4ccccc34)no2)cc(C(F)(F)F)c1.FC(F)(F)c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1.FC(F)(F)c1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)no2)c1.FC(F)(F)c1cccc(-c2nc(-c3ccc4ccccc4c3)no2)c1.FC(F)(F)c1cccc(-c2nc(-c3cccc4ccccc34)no2)c1.FC(F)(F)c1cccc(-c2noc(-c3cccc4ccccc34)n2)c1.FCF.Fc1c(F)c(F)c(-c2noc(-c3cccc4ccccc34)n2)c(F)c1F.Fc1cc(F)cc(-c2noc(-c3cccc4ccccc34)n2)c1.
What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-3-naphthalen-1-yl-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole;difluoromethane;3-(3,5-difluorophenyl)-5-naphthalen-1-yl-1,2,4-oxadiazole;3-(3-methylphenyl)-5-[4-(4-phenylphenyl)phenyl]-1,2,4-oxadiazole;3-[3-methyl-5-(trifluoromethyl)phenyl]-5-naphthalen-1-yl-1,2,4-oxadiazole;5-naphthalen-1-yl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-naphthalen-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is JDQHSZRPYOPIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O.C27H20N2O.2C21H13F3N2O.C20H10F6N2O.C20H13F3N2O.C19H16F4N2O.3C19H11F3N2O.C18H7F5N2O.C18H10F2N2O.CH2F2/c1-31(2,3)23-16-22(17-24(18-23)32(4,5)6)29-33-30(35-34-29)26-15-13-21-11-10-19-8-7-9-20-12-14-25(26)28(21)27(19)20;1-19-6-5-9-25(18-19)26-28-27(30-29-26)24-16-14-23(15-17-24)22-12-10-21(11-13-22)20-7-3-2-4-8-20;22-21(23,24)18-8-4-7-17(13-18)20-25-19(26-27-20)16-11-9-15(10-12-16)14-5-2-1-3-6-14;22-21(23,24)18-12-10-17(11-13-18)20-25-19(26-27-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14;21-19(22,23)13-8-12(9-14(10-13)20(24,25)26)18-27-17(28-29-18)16-7-3-5-11-4-1-2-6-15(11)16;1-12-9-14(11-15(10-12)20(21,22)23)18-24-19(26-25-18)17-8-4-6-13-5-2-3-7-16(13)17;1-18(2,3)13-6-4-11(5-7-13)17-24-16(25-26-17)12-8-14(19(21,22)23)10-15(20)9-12;20-19(21,22)14-8-3-7-13(11-14)18-23-17(24-25-18)16-10-4-6-12-5-1-2-9-15(12)16;20-19(21,22)14-8-3-7-13(11-14)17-23-18(25-24-17)16-10-4-6-12-5-1-2-9-15(12)16;20-19(21,22)16-7-3-6-15(11-16)18-23-17(24-25-18)14-9-8-12-4-1-2-5-13(12)10-14;19-12-11(13(20)15(22)16(23)14(12)21)17-24-18(26-25-17)10-7-3-5-8-4-1-2-6-9(8)10;19-13-8-12(9-14(20)10-13)17-21-18(23-22-17)16-7-3-5-11-4-1-2-6-15(11)16;2-1-3/h7-18H,1-6H3;2-18H,1H3;2*1-13H;1-10H;2-11H,1H3;4-10H,1-3H3;3*1-11H;1-7H;1-10H;1H2.
What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-3-naphthalen-1-yl-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole;difluoromethane;3-(3,5-difluorophenyl)-5-naphthalen-1-yl-1,2,4-oxadiazole;3-(3-methylphenyl)-5-[4-(4-phenylphenyl)phenyl]-1,2,4-oxadiazole;3-[3-methyl-5-(trifluoromethyl)phenyl]-5-naphthalen-1-yl-1,2,4-oxadiazole;5-naphthalen-1-yl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-naphthalen-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-[3,5-bis(trifluoromethyl)phenyl]-3-naphthalen-1-yl-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole;difluoromethane;3-(3,5-difluorophenyl)-5-naphthalen-1-yl-1,2,4-oxadiazole;3-(3-methylphenyl)-5-[4-(4-phenylphenyl)phenyl]-1,2,4-oxadiazole;3-[3-methyl-5-(trifluoromethyl)phenyl]-5-naphthalen-1-yl-1,2,4-oxadiazole;5-naphthalen-1-yl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-naphthalen-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 4450.21 g/mol, XLogP of 74.16, 28 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(trifluoromethyl)phenyl]-3-naphthalen-1-yl-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole;difluoromethane;3-(3,5-difluorophenyl)-5-naphthalen-1-yl-1,2,4-oxadiazole;3-(3-methylphenyl)-5-[4-(4-phenylphenyl)phenyl]-1,2,4-oxadiazole;3-[3-methyl-5-(trifluoromethyl)phenyl]-5-naphthalen-1-yl-1,2,4-oxadiazole;5-naphthalen-1-yl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-naphthalen-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-phenylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 158886033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).