N-(2-chloro-6-methylphenyl)-5-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide

C133H148Cl7N61O16 — CID 159053916

IUPACN-(2-chloro-6-methylphenyl)-5-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nc(NCCN(C)C)nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)n1.Cc1nc(NCCO)nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCCC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(c3ccccc3)CC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCNCC2)n1
InChIInChI=1S/C24H24ClN9O2.C20H24ClN9O3.C19H22ClN9O2.C18H20ClN9O2.C18H22ClN9O2.C18H19ClN8O2.C16H17ClN8O3/c1-15-7-6-10-18(25)19(15)28-20(35)21-31-32-24(36-21)30-22-26-16(2)27-23(29-22)34-13-11-33(12-14-34)17-8-4-3-5-9-17;1-12-4-3-5-14(21)15(12)24-16(32)17-27-28-20(33-17)26-18-22-13(2)23-19(25-18)30-8-6-29(7-9-30)10-11-31;1-11-5-4-6-13(20)14(11)23-15(30)16-26-27-19(31-16)25-17-21-12(2)22-18(24-17)29-9-7-28(3)8-10-29;1-10-4-3-5-12(19)13(10)23-14(29)15-26-27-18(30-15)25-16-21-11(2)22-17(24-16)28-8-6-20-7-9-28;1-10-6-5-7-12(19)13(10)23-14(29)15-26-27-18(30-15)25-17-22-11(2)21-16(24-17)20-8-9-28(3)4;1-10-6-5-7-12(19)13(10)22-14(28)15-25-26-18(29-15)24-16-20-11(2)21-17(23-16)27-8-3-4-9-27;1-8-4-3-5-10(17)11(8)21-12(27)13-24-25-16(28-13)23-15-20-9(2)19-14(22-15)18-6-7-26/h3-10H,11-14H2,1-2H3,(H,28,35)(H,26,27,29,30,32);3-5,31H,6-11H2,1-2H3,(H,24,32)(H,22,23,25,26,28);4-6H,7-10H2,1-3H3,(H,23,30)(H,21,22,24,25,27);3-5,20H,6-9H2,1-2H3,(H,23,29)(H,21,22,24,25,27);5-7H,8-9H2,1-4H3,(H,23,29)(H2,20,21,22,24,25,27);5-7H,3-4,8-9H2,1-2H3,(H,22,28)(H,20,21,23,24,26);3-5,26H,6-7H2,1-2H3,(H,21,27)(H2,18,19,20,22,23,25)
InChIKeyJXPVGHKAGUTIDU-UHFFFAOYSA-N
MW3105.23 g/mol
LogP17.23
Rot. Bonds43

About N-(2-chloro-6-methylphenyl)-5-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide

N-(2-chloro-6-methylphenyl)-5-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 159053916) has the molecular formula C133H148Cl7N61O16 and a molecular weight of 3105.23 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-5-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-5-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide
PubChem CID159053916
Molecular FormulaC133H148Cl7N61O16
Molecular Weight3105.23 g/mol
Exact Mass3100.05
IUPAC NameN-(2-chloro-6-methylphenyl)-5-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nc(NCCN(C)C)nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)n1.Cc1nc(NCCO)nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCCC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(c3ccccc3)CC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCNCC2)n1
InChIInChI=1S/C24H24ClN9O2.C20H24ClN9O3.C19H22ClN9O2.C18H20ClN9O2.C18H22ClN9O2.C18H19ClN8O2.C16H17ClN8O3/c1-15-7-6-10-18(25)19(15)28-20(35)21-31-32-24(36-21)30-22-26-16(2)27-23(29-22)34-13-11-33(12-14-34)17-8-4-3-5-9-17;1-12-4-3-5-14(21)15(12)24-16(32)17-27-28-20(33-17)26-18-22-13(2)23-19(25-18)30-8-6-29(7-9-30)10-11-31;1-11-5-4-6-13(20)14(11)23-15(30)16-26-27-19(31-16)25-17-21-12(2)22-18(24-17)29-9-7-28(3)8-10-29;1-10-4-3-5-12(19)13(10)23-14(29)15-26-27-18(30-15)25-16-21-11(2)22-17(24-16)28-8-6-20-7-9-28;1-10-6-5-7-12(19)13(10)23-14(29)15-26-27-18(30-15)25-17-22-11(2)21-16(24-17)20-8-9-28(3)4;1-10-6-5-7-12(19)13(10)22-14(28)15-25-26-18(29-15)24-16-20-11(2)21-17(23-16)27-8-3-4-9-27;1-8-4-3-5-10(17)11(8)21-12(27)13-24-25-16(28-13)23-15-20-9(2)19-14(22-15)18-6-7-26/h3-10H,11-14H2,1-2H3,(H,28,35)(H,26,27,29,30,32);3-5,31H,6-11H2,1-2H3,(H,24,32)(H,22,23,25,26,28);4-6H,7-10H2,1-3H3,(H,23,30)(H,21,22,24,25,27);3-5,20H,6-9H2,1-2H3,(H,23,29)(H,21,22,24,25,27);5-7H,8-9H2,1-4H3,(H,23,29)(H2,20,21,22,24,25,27);5-7H,3-4,8-9H2,1-2H3,(H,22,28)(H,20,21,23,24,26);3-5,26H,6-7H2,1-2H3,(H,21,27)(H2,18,19,20,22,23,25)
InChIKeyJXPVGHKAGUTIDU-UHFFFAOYSA-N
XLogP17.23
TPSA936.75 Ų
H-Bond Donors19
H-Bond Acceptors70
Rotatable Bonds43
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003105.23
LogP ≤ 517.23
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1070

Analyze N-(2-chloro-6-methylphenyl)-5-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide with MolForge

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Related Compounds

N-(2-chloro-6-methylphenyl)-5-[[4-[2-(diethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide
CID 157322762
5-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-cyclopentyl-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-cyclopropyl-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-ethenyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-ethynyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide
CID 159390623
N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 159580024
N-(2-chloro-6-methylphenyl)-5-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide
CID 160172189
CID 160246088
CID 160246088
5-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-cyclopentyl-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-cyclopropyl-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-ethenyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-ethynyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide
CID 160515220

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-5-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-5-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide (CID 159053916) is N-(2-chloro-6-methylphenyl)-5-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-5-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-5-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide is Cc1nc(NCCN(C)C)nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)n1.Cc1nc(NCCO)nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCCC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(c3ccccc3)CC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCNCC2)n1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-5-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is JXPVGHKAGUTIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN9O2.C20H24ClN9O3.C19H22ClN9O2.C18H20ClN9O2.C18H22ClN9O2.C18H19ClN8O2.C16H17ClN8O3/c1-15-7-6-10-18(25)19(15)28-20(35)21-31-32-24(36-21)30-22-26-16(2)27-23(29-22)34-13-11-33(12-14-34)17-8-4-3-5-9-17;1-12-4-3-5-14(21)15(12)24-16(32)17-27-28-20(33-17)26-18-22-13(2)23-19(25-18)30-8-6-29(7-9-30)10-11-31;1-11-5-4-6-13(20)14(11)23-15(30)16-26-27-19(31-16)25-17-21-12(2)22-18(24-17)29-9-7-28(3)8-10-29;1-10-4-3-5-12(19)13(10)23-14(29)15-26-27-18(30-15)25-16-21-11(2)22-17(24-16)28-8-6-20-7-9-28;1-10-6-5-7-12(19)13(10)23-14(29)15-26-27-18(30-15)25-17-22-11(2)21-16(24-17)20-8-9-28(3)4;1-10-6-5-7-12(19)13(10)22-14(28)15-25-26-18(29-15)24-16-20-11(2)21-17(23-16)27-8-3-4-9-27;1-8-4-3-5-10(17)11(8)21-12(27)13-24-25-16(28-13)23-15-20-9(2)19-14(22-15)18-6-7-26/h3-10H,11-14H2,1-2H3,(H,28,35)(H,26,27,29,30,32);3-5,31H,6-11H2,1-2H3,(H,24,32)(H,22,23,25,26,28);4-6H,7-10H2,1-3H3,(H,23,30)(H,21,22,24,25,27);3-5,20H,6-9H2,1-2H3,(H,23,29)(H,21,22,24,25,27);5-7H,8-9H2,1-4H3,(H,23,29)(H2,20,21,22,24,25,27);5-7H,3-4,8-9H2,1-2H3,(H,22,28)(H,20,21,23,24,26);3-5,26H,6-7H2,1-2H3,(H,21,27)(H2,18,19,20,22,23,25).
What are the key properties of N-(2-chloro-6-methylphenyl)-5-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide?
N-(2-chloro-6-methylphenyl)-5-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 3105.23 g/mol, XLogP of 17.23, 43 rotatable bonds, 19 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-5-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 159053916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).