5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N-[2-(dimethylamino)ethyl]-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;methane;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-phenyl-1,2,4-oxadiazole

C182H195F8N50O15+ — CID 158568748

IUPAC5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N-[2-(dimethylamino)ethyl]-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;methane;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-phenyl-1,2,4-oxadiazole
SMILESC.C.CCc1cc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)ccn1.CCc1nc(-c2nc(-c3ccc(C)cc3)no2)nn1Cc1ccccc1.COCCCCc1cc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)ccn1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4cccc(C(=O)NCCN(C)C)c4)n3)n2)cc1.Cc1ccc(-c2noc(-c3nc(C4CC4)n(Cc4ccccc4)n3)n2)cc1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(CCCN2CCOCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(N(C)C)c1.Cc1nc(-c2nc(-c3ccccc3)no2)nn1Cc1cc[nH+]c(N2CCC(C)CC2)c1
InChIInChI=1S/C26H29F2N7O3.C24H26F2N6O3.C24H27N7O2.C23H25N7O.C21H21F2N7O2.C21H20F2N6O2.C21H19N5O.C20H19N5O.2CH4/c1-18-30-24(25-31-23(33-38-25)20-5-7-22(8-6-20)37-26(2,27)28)32-35(18)17-19-9-10-29-21(16-19)4-3-11-34-12-14-36-15-13-34;1-16-28-22(30-32(16)15-17-11-12-27-19(14-17)6-4-5-13-33-3)23-29-21(31-35-23)18-7-9-20(10-8-18)34-24(2,25)26;1-16-8-10-19(11-9-16)21-27-24(33-29-21)22-26-17(2)31(28-22)15-18-6-5-7-20(14-18)23(32)25-12-13-30(3)4;1-16-9-12-29(13-10-16)20-14-18(8-11-24-20)15-30-17(2)25-22(27-30)23-26-21(28-31-23)19-6-4-3-5-7-19;1-13-25-19(27-30(13)12-14-9-10-24-17(11-14)29(3)4)20-26-18(28-32-20)15-5-7-16(8-6-15)31-21(2,22)23;1-4-16-11-14(9-10-24-16)12-29-13(2)25-19(27-29)20-26-18(28-31-20)15-5-7-17(8-6-15)30-21(3,22)23;1-14-7-9-16(10-8-14)18-23-21(27-25-18)19-22-20(17-11-12-17)26(24-19)13-15-5-3-2-4-6-15;1-3-17-21-19(23-25(17)13-15-7-5-4-6-8-15)20-22-18(24-26-20)16-11-9-14(2)10-12-16;;/h5-10,16H,3-4,11-15,17H2,1-2H3;7-12,14H,4-6,13,15H2,1-3H3;5-11,14H,12-13,15H2,1-4H3,(H,25,32);3-8,11,14,16H,9-10,12-13,15H2,1-2H3;5-11H,12H2,1-4H3;5-11H,4,12H2,1-3H3;2-10,17H,11-13H2,1H3;4-12H,3,13H2,1-2H3;2*1H4/p+1
InChIKeyHRUVEDHNOPSSLO-UHFFFAOYSA-O
MW3474.88 g/mol
LogP32.59
Rot. Bonds58

About 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N-[2-(dimethylamino)ethyl]-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;methane;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-phenyl-1,2,4-oxadiazole

5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N-[2-(dimethylamino)ethyl]-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;methane;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 158568748) has the molecular formula C182H195F8N50O15+ and a molecular weight of 3474.88 g/mol. Its IUPAC name is 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N-[2-(dimethylamino)ethyl]-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;methane;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N-[2-(dimethylamino)ethyl]-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;methane;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID158568748
Molecular FormulaC182H195F8N50O15+
Molecular Weight3474.88 g/mol
Exact Mass3472.59
IUPAC Name5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N-[2-(dimethylamino)ethyl]-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;methane;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-phenyl-1,2,4-oxadiazole
SMILESC.C.CCc1cc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)ccn1.CCc1nc(-c2nc(-c3ccc(C)cc3)no2)nn1Cc1ccccc1.COCCCCc1cc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)ccn1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4cccc(C(=O)NCCN(C)C)c4)n3)n2)cc1.Cc1ccc(-c2noc(-c3nc(C4CC4)n(Cc4ccccc4)n3)n2)cc1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(CCCN2CCOCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(N(C)C)c1.Cc1nc(-c2nc(-c3ccccc3)no2)nn1Cc1cc[nH+]c(N2CCC(C)CC2)c1
InChIInChI=1S/C26H29F2N7O3.C24H26F2N6O3.C24H27N7O2.C23H25N7O.C21H21F2N7O2.C21H20F2N6O2.C21H19N5O.C20H19N5O.2CH4/c1-18-30-24(25-31-23(33-38-25)20-5-7-22(8-6-20)37-26(2,27)28)32-35(18)17-19-9-10-29-21(16-19)4-3-11-34-12-14-36-15-13-34;1-16-28-22(30-32(16)15-17-11-12-27-19(14-17)6-4-5-13-33-3)23-29-21(31-35-23)18-7-9-20(10-8-18)34-24(2,25)26;1-16-8-10-19(11-9-16)21-27-24(33-29-21)22-26-17(2)31(28-22)15-18-6-5-7-20(14-18)23(32)25-12-13-30(3)4;1-16-9-12-29(13-10-16)20-14-18(8-11-24-20)15-30-17(2)25-22(27-30)23-26-21(28-31-23)19-6-4-3-5-7-19;1-13-25-19(27-30(13)12-14-9-10-24-17(11-14)29(3)4)20-26-18(28-32-20)15-5-7-16(8-6-15)31-21(2,22)23;1-4-16-11-14(9-10-24-16)12-29-13(2)25-19(27-29)20-26-18(28-31-20)15-5-7-17(8-6-15)30-21(3,22)23;1-14-7-9-16(10-8-14)18-23-21(27-25-18)19-22-20(17-11-12-17)26(24-19)13-15-5-3-2-4-6-15;1-3-17-21-19(23-25(17)13-15-7-5-4-6-8-15)20-22-18(24-26-20)16-11-9-14(2)10-12-16;;/h5-10,16H,3-4,11-15,17H2,1-2H3;7-12,14H,4-6,13,15H2,1-3H3;5-11,14H,12-13,15H2,1-4H3,(H,25,32);3-8,11,14,16H,9-10,12-13,15H2,1-2H3;5-11H,12H2,1-4H3;5-11H,4,12H2,1-3H3;2-10,17H,11-13H2,1H3;4-12H,3,13H2,1-2H3;2*1H4/p+1
InChIKeyHRUVEDHNOPSSLO-UHFFFAOYSA-O
XLogP32.59
TPSA720.18 Ų
H-Bond Donors1
H-Bond Acceptors63
Rotatable Bonds58
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003474.88
LogP ≤ 532.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N-[2-(dimethylamino)ethyl]-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;methane;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-phenyl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[1-Benzyl-5-[5-[3-[5-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methyl]-1,2,4-triazol-3-yl]furan-2-yl]phenyl]pyridin-3-yl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 130288585
CID 157204266
CID 157204266
N-(2-amino-2-methylpropyl)-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylbenzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 157401075
5-(1-Benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;2-[1-[[2-(4,4-dimethylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]-5-phenyl-1,3,4-oxadiazole;methane;1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine;5-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2-[5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole;3-(4-methylphenyl)-5-[5-methyl-1-[(2-piperazin-1-yl-4-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;tris(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid
CID 157405284
4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-(1-methylpiperidin-4-yl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-morpholin-4-ylethyl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157542731
CID 157665958
CID 157665958
N-[3-(2-anilinoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;tert-butyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[5-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide;ethyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[2-fluoro-5-[2-(methoxycarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide;methyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;4-methyl-N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide
CID 157667604
CID 157799371
CID 157799371
CID 157870516
CID 157870516
N-(cyclohexylmethyl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-fluorophenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157936275
3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 157956965
4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157975420

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N-[2-(dimethylamino)ethyl]-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;methane;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N-[2-(dimethylamino)ethyl]-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;methane;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-phenyl-1,2,4-oxadiazole (CID 158568748) is 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N-[2-(dimethylamino)ethyl]-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;methane;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N-[2-(dimethylamino)ethyl]-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;methane;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N-[2-(dimethylamino)ethyl]-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;methane;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-phenyl-1,2,4-oxadiazole is C.C.CCc1cc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)ccn1.CCc1nc(-c2nc(-c3ccc(C)cc3)no2)nn1Cc1ccccc1.COCCCCc1cc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)ccn1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4cccc(C(=O)NCCN(C)C)c4)n3)n2)cc1.Cc1ccc(-c2noc(-c3nc(C4CC4)n(Cc4ccccc4)n3)n2)cc1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(CCCN2CCOCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(N(C)C)c1.Cc1nc(-c2nc(-c3ccccc3)no2)nn1Cc1cc[nH+]c(N2CCC(C)CC2)c1.
What is the InChIKey of 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N-[2-(dimethylamino)ethyl]-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;methane;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is HRUVEDHNOPSSLO-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H29F2N7O3.C24H26F2N6O3.C24H27N7O2.C23H25N7O.C21H21F2N7O2.C21H20F2N6O2.C21H19N5O.C20H19N5O.2CH4/c1-18-30-24(25-31-23(33-38-25)20-5-7-22(8-6-20)37-26(2,27)28)32-35(18)17-19-9-10-29-21(16-19)4-3-11-34-12-14-36-15-13-34;1-16-28-22(30-32(16)15-17-11-12-27-19(14-17)6-4-5-13-33-3)23-29-21(31-35-23)18-7-9-20(10-8-18)34-24(2,25)26;1-16-8-10-19(11-9-16)21-27-24(33-29-21)22-26-17(2)31(28-22)15-18-6-5-7-20(14-18)23(32)25-12-13-30(3)4;1-16-9-12-29(13-10-16)20-14-18(8-11-24-20)15-30-17(2)25-22(27-30)23-26-21(28-31-23)19-6-4-3-5-7-19;1-13-25-19(27-30(13)12-14-9-10-24-17(11-14)29(3)4)20-26-18(28-32-20)15-5-7-16(8-6-15)31-21(2,22)23;1-4-16-11-14(9-10-24-16)12-29-13(2)25-19(27-29)20-26-18(28-31-20)15-5-7-17(8-6-15)30-21(3,22)23;1-14-7-9-16(10-8-14)18-23-21(27-25-18)19-22-20(17-11-12-17)26(24-19)13-15-5-3-2-4-6-15;1-3-17-21-19(23-25(17)13-15-7-5-4-6-8-15)20-22-18(24-26-20)16-11-9-14(2)10-12-16;;/h5-10,16H,3-4,11-15,17H2,1-2H3;7-12,14H,4-6,13,15H2,1-3H3;5-11,14H,12-13,15H2,1-4H3,(H,25,32);3-8,11,14,16H,9-10,12-13,15H2,1-2H3;5-11H,12H2,1-4H3;5-11H,4,12H2,1-3H3;2-10,17H,11-13H2,1H3;4-12H,3,13H2,1-2H3;2*1H4/p+1.
What are the key properties of 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N-[2-(dimethylamino)ethyl]-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;methane;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-phenyl-1,2,4-oxadiazole?
5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N-[2-(dimethylamino)ethyl]-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;methane;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 3474.88 g/mol, XLogP of 32.59, 58 rotatable bonds, 1 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N-[2-(dimethylamino)ethyl]-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;methane;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 158568748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).