3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(3-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-methyl-N-[2-oxo-3-(5-phenyl-4H-pyrazol-3-yl)propyl]methanesulfonamide;3-[2-oxo-2-(oxolan-2-yl)ethyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-oxo-1-(2-phenylethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-[(2-phenylacetyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide

C185H182FN57O22S — CID 159189484

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(3-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-methyl-N-[2-oxo-3-(5-phenyl-4H-pyrazol-3-yl)propyl]methanesulfonamide;3-[2-oxo-2-(oxolan-2-yl)ethyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-oxo-1-(2-phenylethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-[(2-phenylacetyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
SMILESCC(C)(C)c1noc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)n1.CN(CC(=O)CC1=NN=C(c2ccccc2)C1)S(C)(=O)=O.COc1cccc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.Cc1noc(C)c1CC(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(CC1=NN=C(c2ccccn2)C1)C1COc2ccccc2C1.O=C(Cc1cccc(F)c1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccccc1)NCCC(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CC(=O)N(CCc2ccccc2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CCCC1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Oc2ccccc2)nc1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cccc(CC(=O)C2CCCO2)c1
InChIInChI=1S/C20H20N6O2.C20H19N5O3.C19H14N6O2.C19H17N3O2.C18H18N6O2.C17H17N5O2.C16H19N7O2.C15H12FN5O.C14H14N6O2.C14H17N3O3S.C13H15N5O/c27-17-12-15(13-26(17)11-9-14-6-2-1-3-7-14)19(28)23-20-22-18(24-25-20)16-8-4-5-10-21-16;26-16(17-8-4-10-28-17)12-13-5-3-6-14(11-13)19(27)23-20-22-18(24-25-20)15-7-1-2-9-21-15;26-18(23-19-22-17(24-25-19)15-8-4-5-11-20-15)13-9-10-16(21-12-13)27-14-6-2-1-3-7-14;23-18(14-9-13-5-1-2-7-19(13)24-12-14)11-15-10-17(22-21-15)16-6-3-4-8-20-16;25-15(9-11-20-16(26)12-13-6-2-1-3-7-13)21-18-22-17(23-24-18)14-8-4-5-10-19-14;1-24-13-6-4-5-12(11-13)8-9-15(23)19-17-20-16(21-22-17)14-7-2-3-10-18-14;1-16(2,3)14-19-12(25-23-14)8-7-11(24)18-15-20-13(21-22-15)10-6-4-5-9-17-10;16-11-5-3-4-10(8-11)9-13(22)18-15-19-14(20-21-15)12-6-1-2-7-17-12;1-8-10(9(2)22-20-8)7-12(21)16-14-17-13(18-19-14)11-5-3-4-6-15-11;1-17(21(2,19)20)10-13(18)8-12-9-14(16-15-12)11-6-4-3-5-7-11;19-12(9-5-1-2-6-9)16-13-15-11(17-18-13)10-7-3-4-8-14-10/h1-8,10,15H,9,11-13H2,(H2,22,23,24,25,28);1-3,5-7,9,11,17H,4,8,10,12H2,(H2,22,23,24,25,27);1-12H,(H2,22,23,24,25,26);1-8,14H,9-12H2;1-8,10H,9,11-12H2,(H,20,26)(H2,21,22,23,24,25);2-7,10-11H,8-9H2,1H3,(H2,19,20,21,22,23);4-6,9H,7-8H2,1-3H3,(H2,18,20,21,22,24);1-8H,9H2,(H2,18,19,20,21,22);3-6H,7H2,1-2H3,(H2,16,17,18,19,21);3-7H,8-10H2,1-2H3;3-4,7-9H,1-2,5-6H2,(H2,15,16,17,18,19)
InChIKeyKNXFTQBUFUAUII-UHFFFAOYSA-N
MW3606.93 g/mol
LogP23.49
Rot. Bonds56

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(3-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-methyl-N-[2-oxo-3-(5-phenyl-4H-pyrazol-3-yl)propyl]methanesulfonamide;3-[2-oxo-2-(oxolan-2-yl)ethyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-oxo-1-(2-phenylethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-[(2-phenylacetyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(3-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-methyl-N-[2-oxo-3-(5-phenyl-4H-pyrazol-3-yl)propyl]methanesulfonamide;3-[2-oxo-2-(oxolan-2-yl)ethyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-oxo-1-(2-phenylethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-[(2-phenylacetyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide (PubChem CID 159189484) has the molecular formula C185H182FN57O22S and a molecular weight of 3606.93 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(3-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-methyl-N-[2-oxo-3-(5-phenyl-4H-pyrazol-3-yl)propyl]methanesulfonamide;3-[2-oxo-2-(oxolan-2-yl)ethyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-oxo-1-(2-phenylethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-[(2-phenylacetyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(3-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-methyl-N-[2-oxo-3-(5-phenyl-4H-pyrazol-3-yl)propyl]methanesulfonamide;3-[2-oxo-2-(oxolan-2-yl)ethyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-oxo-1-(2-phenylethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-[(2-phenylacetyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
PubChem CID159189484
Molecular FormulaC185H182FN57O22S
Molecular Weight3606.93 g/mol
Exact Mass3604.46
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(3-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-methyl-N-[2-oxo-3-(5-phenyl-4H-pyrazol-3-yl)propyl]methanesulfonamide;3-[2-oxo-2-(oxolan-2-yl)ethyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-oxo-1-(2-phenylethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-[(2-phenylacetyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
SMILESCC(C)(C)c1noc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)n1.CN(CC(=O)CC1=NN=C(c2ccccc2)C1)S(C)(=O)=O.COc1cccc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.Cc1noc(C)c1CC(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(CC1=NN=C(c2ccccn2)C1)C1COc2ccccc2C1.O=C(Cc1cccc(F)c1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccccc1)NCCC(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CC(=O)N(CCc2ccccc2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CCCC1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Oc2ccccc2)nc1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cccc(CC(=O)C2CCCO2)c1
InChIInChI=1S/C20H20N6O2.C20H19N5O3.C19H14N6O2.C19H17N3O2.C18H18N6O2.C17H17N5O2.C16H19N7O2.C15H12FN5O.C14H14N6O2.C14H17N3O3S.C13H15N5O/c27-17-12-15(13-26(17)11-9-14-6-2-1-3-7-14)19(28)23-20-22-18(24-25-20)16-8-4-5-10-21-16;26-16(17-8-4-10-28-17)12-13-5-3-6-14(11-13)19(27)23-20-22-18(24-25-20)15-7-1-2-9-21-15;26-18(23-19-22-17(24-25-19)15-8-4-5-11-20-15)13-9-10-16(21-12-13)27-14-6-2-1-3-7-14;23-18(14-9-13-5-1-2-7-19(13)24-12-14)11-15-10-17(22-21-15)16-6-3-4-8-20-16;25-15(9-11-20-16(26)12-13-6-2-1-3-7-13)21-18-22-17(23-24-18)14-8-4-5-10-19-14;1-24-13-6-4-5-12(11-13)8-9-15(23)19-17-20-16(21-22-17)14-7-2-3-10-18-14;1-16(2,3)14-19-12(25-23-14)8-7-11(24)18-15-20-13(21-22-15)10-6-4-5-9-17-10;16-11-5-3-4-10(8-11)9-13(22)18-15-19-14(20-21-15)12-6-1-2-7-17-12;1-8-10(9(2)22-20-8)7-12(21)16-14-17-13(18-19-14)11-5-3-4-6-15-11;1-17(21(2,19)20)10-13(18)8-12-9-14(16-15-12)11-6-4-3-5-7-11;19-12(9-5-1-2-6-9)16-13-15-11(17-18-13)10-7-3-4-8-14-10/h1-8,10,15H,9,11-13H2,(H2,22,23,24,25,28);1-3,5-7,9,11,17H,4,8,10,12H2,(H2,22,23,24,25,27);1-12H,(H2,22,23,24,25,26);1-8,14H,9-12H2;1-8,10H,9,11-12H2,(H,20,26)(H2,21,22,23,24,25);2-7,10-11H,8-9H2,1H3,(H2,19,20,21,22,23);4-6,9H,7-8H2,1-3H3,(H2,18,20,21,22,24);1-8H,9H2,(H2,18,19,20,21,22);3-6H,7H2,1-2H3,(H2,16,17,18,19,21);3-7H,8-10H2,1-2H3;3-4,7-9H,1-2,5-6H2,(H2,15,16,17,18,19)
InChIKeyKNXFTQBUFUAUII-UHFFFAOYSA-N
XLogP23.49
TPSA1067.13 Ų
H-Bond Donors19
H-Bond Acceptors58
Rotatable Bonds56
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003606.93
LogP ≤ 523.49
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1058

Analyze 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(3-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-methyl-N-[2-oxo-3-(5-phenyl-4H-pyrazol-3-yl)propyl]methanesulfonamide;3-[2-oxo-2-(oxolan-2-yl)ethyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-oxo-1-(2-phenylethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-[(2-phenylacetyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(3-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-methyl-N-[2-oxo-3-(5-phenyl-4H-pyrazol-3-yl)propyl]methanesulfonamide;3-[2-oxo-2-(oxolan-2-yl)ethyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-oxo-1-(2-phenylethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-[(2-phenylacetyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(3-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-methyl-N-[2-oxo-3-(5-phenyl-4H-pyrazol-3-yl)propyl]methanesulfonamide;3-[2-oxo-2-(oxolan-2-yl)ethyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-oxo-1-(2-phenylethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-[(2-phenylacetyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide (CID 159189484) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(3-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-methyl-N-[2-oxo-3-(5-phenyl-4H-pyrazol-3-yl)propyl]methanesulfonamide;3-[2-oxo-2-(oxolan-2-yl)ethyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-oxo-1-(2-phenylethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-[(2-phenylacetyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(3-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-methyl-N-[2-oxo-3-(5-phenyl-4H-pyrazol-3-yl)propyl]methanesulfonamide;3-[2-oxo-2-(oxolan-2-yl)ethyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-oxo-1-(2-phenylethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-[(2-phenylacetyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(3-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-methyl-N-[2-oxo-3-(5-phenyl-4H-pyrazol-3-yl)propyl]methanesulfonamide;3-[2-oxo-2-(oxolan-2-yl)ethyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-oxo-1-(2-phenylethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-[(2-phenylacetyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide is CC(C)(C)c1noc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)n1.CN(CC(=O)CC1=NN=C(c2ccccc2)C1)S(C)(=O)=O.COc1cccc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.Cc1noc(C)c1CC(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(CC1=NN=C(c2ccccn2)C1)C1COc2ccccc2C1.O=C(Cc1cccc(F)c1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccccc1)NCCC(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CC(=O)N(CCc2ccccc2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CCCC1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Oc2ccccc2)nc1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cccc(CC(=O)C2CCCO2)c1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(3-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-methyl-N-[2-oxo-3-(5-phenyl-4H-pyrazol-3-yl)propyl]methanesulfonamide;3-[2-oxo-2-(oxolan-2-yl)ethyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-oxo-1-(2-phenylethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-[(2-phenylacetyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide?
The InChIKey is KNXFTQBUFUAUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2.C20H19N5O3.C19H14N6O2.C19H17N3O2.C18H18N6O2.C17H17N5O2.C16H19N7O2.C15H12FN5O.C14H14N6O2.C14H17N3O3S.C13H15N5O/c27-17-12-15(13-26(17)11-9-14-6-2-1-3-7-14)19(28)23-20-22-18(24-25-20)16-8-4-5-10-21-16;26-16(17-8-4-10-28-17)12-13-5-3-6-14(11-13)19(27)23-20-22-18(24-25-20)15-7-1-2-9-21-15;26-18(23-19-22-17(24-25-19)15-8-4-5-11-20-15)13-9-10-16(21-12-13)27-14-6-2-1-3-7-14;23-18(14-9-13-5-1-2-7-19(13)24-12-14)11-15-10-17(22-21-15)16-6-3-4-8-20-16;25-15(9-11-20-16(26)12-13-6-2-1-3-7-13)21-18-22-17(23-24-18)14-8-4-5-10-19-14;1-24-13-6-4-5-12(11-13)8-9-15(23)19-17-20-16(21-22-17)14-7-2-3-10-18-14;1-16(2,3)14-19-12(25-23-14)8-7-11(24)18-15-20-13(21-22-15)10-6-4-5-9-17-10;16-11-5-3-4-10(8-11)9-13(22)18-15-19-14(20-21-15)12-6-1-2-7-17-12;1-8-10(9(2)22-20-8)7-12(21)16-14-17-13(18-19-14)11-5-3-4-6-15-11;1-17(21(2,19)20)10-13(18)8-12-9-14(16-15-12)11-6-4-3-5-7-11;19-12(9-5-1-2-6-9)16-13-15-11(17-18-13)10-7-3-4-8-14-10/h1-8,10,15H,9,11-13H2,(H2,22,23,24,25,28);1-3,5-7,9,11,17H,4,8,10,12H2,(H2,22,23,24,25,27);1-12H,(H2,22,23,24,25,26);1-8,14H,9-12H2;1-8,10H,9,11-12H2,(H,20,26)(H2,21,22,23,24,25);2-7,10-11H,8-9H2,1H3,(H2,19,20,21,22,23);4-6,9H,7-8H2,1-3H3,(H2,18,20,21,22,24);1-8H,9H2,(H2,18,19,20,21,22);3-6H,7H2,1-2H3,(H2,16,17,18,19,21);3-7H,8-10H2,1-2H3;3-4,7-9H,1-2,5-6H2,(H2,15,16,17,18,19).
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(3-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-methyl-N-[2-oxo-3-(5-phenyl-4H-pyrazol-3-yl)propyl]methanesulfonamide;3-[2-oxo-2-(oxolan-2-yl)ethyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-oxo-1-(2-phenylethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-[(2-phenylacetyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(3-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-methyl-N-[2-oxo-3-(5-phenyl-4H-pyrazol-3-yl)propyl]methanesulfonamide;3-[2-oxo-2-(oxolan-2-yl)ethyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-oxo-1-(2-phenylethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-[(2-phenylacetyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide has a molecular weight of 3606.93 g/mol, XLogP of 23.49, 56 rotatable bonds, 19 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(3-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-methyl-N-[2-oxo-3-(5-phenyl-4H-pyrazol-3-yl)propyl]methanesulfonamide;3-[2-oxo-2-(oxolan-2-yl)ethyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-oxo-1-(2-phenylethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-[(2-phenylacetyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide is sourced from PubChem (CID 159189484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).