N-(2-chloro-6-methylphenyl)-5-[[4-(4-chlorophenyl)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;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-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide

C128H126Cl7N53O14 — CID 158912230

IUPACN-(2-chloro-6-methylphenyl)-5-[[4-(4-chlorophenyl)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;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-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide
SMILESCCc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(CCO)CC2)n1.CCc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(c3ccncc3)CC2)n1.COc1ccc(-c2nc(Nc3nnc(C(=O)Nc4c(C)cccc4Cl)o3)nc(N(C)C)n2)cc1.Cc1cccc(Cl)c1NC(=O)c1nnc(Nc2nc(-c3ccc(Cl)cc3)nc(N(C)C)n2)o1.Cc1cccc(Cl)c1NC(=O)c1nnc(Nc2nc(-c3ccccn3)nc(N(C)C)n2)o1.Cc1cccc(Cl)c1NC(=O)c1nnc(Nc2nc(-c3cccnc3)nc(N(C)C)n2)o1
InChIInChI=1S/C24H25ClN10O2.C22H21ClN8O3.C21H18Cl2N8O2.C21H26ClN9O3.2C20H18ClN9O2/c1-3-18-27-22(30-23(28-18)35-13-11-34(12-14-35)16-7-9-26-10-8-16)31-24-33-32-21(37-24)20(36)29-19-15(2)5-4-6-17(19)25;1-12-6-5-7-15(23)16(12)24-18(32)19-29-30-22(34-19)28-20-25-17(26-21(27-20)31(2)3)13-8-10-14(33-4)11-9-13;1-11-5-4-6-14(23)15(11)24-17(32)18-29-30-21(33-18)28-19-25-16(26-20(27-19)31(2)3)12-7-9-13(22)10-8-12;1-3-15-23-19(26-20(24-15)31-9-7-30(8-10-31)11-12-32)27-21-29-28-18(34-21)17(33)25-16-13(2)5-4-6-14(16)22;1-11-6-4-8-13(21)14(11)23-16(31)17-28-29-20(32-17)27-18-24-15(12-7-5-9-22-10-12)25-19(26-18)30(2)3;1-11-7-6-8-12(21)14(11)23-16(31)17-28-29-20(32-17)27-18-24-15(13-9-4-5-10-22-13)25-19(26-18)30(2)3/h4-10H,3,11-14H2,1-2H3,(H,29,36)(H,27,28,30,31,33);5-11H,1-4H3,(H,24,32)(H,25,26,27,28,30);4-10H,1-3H3,(H,24,32)(H,25,26,27,28,30);4-6,32H,3,7-12H2,1-2H3,(H,25,33)(H,23,24,26,27,29);2*4-10H,1-3H3,(H,23,31)(H,24,25,26,27,29)
InChIKeyJGUHHIPUDCSAIB-UHFFFAOYSA-N
MW2878.94 g/mol
LogP20.62
Rot. Bonds40

About N-(2-chloro-6-methylphenyl)-5-[[4-(4-chlorophenyl)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;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-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide

N-(2-chloro-6-methylphenyl)-5-[[4-(4-chlorophenyl)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;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-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 158912230) has the molecular formula C128H126Cl7N53O14 and a molecular weight of 2878.94 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-5-[[4-(4-chlorophenyl)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;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-pyridin-4-ylpiperazin-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-(4-chlorophenyl)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;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-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide
PubChem CID158912230
Molecular FormulaC128H126Cl7N53O14
Molecular Weight2878.94 g/mol
Exact Mass2873.86
IUPAC NameN-(2-chloro-6-methylphenyl)-5-[[4-(4-chlorophenyl)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;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-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide
SMILESCCc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(CCO)CC2)n1.CCc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(c3ccncc3)CC2)n1.COc1ccc(-c2nc(Nc3nnc(C(=O)Nc4c(C)cccc4Cl)o3)nc(N(C)C)n2)cc1.Cc1cccc(Cl)c1NC(=O)c1nnc(Nc2nc(-c3ccc(Cl)cc3)nc(N(C)C)n2)o1.Cc1cccc(Cl)c1NC(=O)c1nnc(Nc2nc(-c3ccccn3)nc(N(C)C)n2)o1.Cc1cccc(Cl)c1NC(=O)c1nnc(Nc2nc(-c3cccnc3)nc(N(C)C)n2)o1
InChIInChI=1S/C24H25ClN10O2.C22H21ClN8O3.C21H18Cl2N8O2.C21H26ClN9O3.2C20H18ClN9O2/c1-3-18-27-22(30-23(28-18)35-13-11-34(12-14-35)16-7-9-26-10-8-16)31-24-33-32-21(37-24)20(36)29-19-15(2)5-4-6-17(19)25;1-12-6-5-7-15(23)16(12)24-18(32)19-29-30-22(34-19)28-20-25-17(26-21(27-20)31(2)3)13-8-10-14(33-4)11-9-13;1-11-5-4-6-14(23)15(11)24-17(32)18-29-30-21(33-18)28-19-25-16(26-20(27-19)31(2)3)12-7-9-13(22)10-8-12;1-3-15-23-19(26-20(24-15)31-9-7-30(8-10-31)11-12-32)27-21-29-28-18(34-21)17(33)25-16-13(2)5-4-6-14(16)22;1-11-6-4-8-13(21)14(11)23-16(31)17-28-29-20(32-17)27-18-24-15(12-7-5-9-22-10-12)25-19(26-18)30(2)3;1-11-7-6-8-12(21)14(11)23-16(31)17-28-29-20(32-17)27-18-24-15(13-9-4-5-10-22-13)25-19(26-18)30(2)3/h4-10H,3,11-14H2,1-2H3,(H,29,36)(H,27,28,30,31,33);5-11H,1-4H3,(H,24,32)(H,25,26,27,28,30);4-10H,1-3H3,(H,24,32)(H,25,26,27,28,30);4-6,32H,3,7-12H2,1-2H3,(H,25,33)(H,23,24,26,27,29);2*4-10H,1-3H3,(H,23,31)(H,24,25,26,27,29)
InChIKeyJGUHHIPUDCSAIB-UHFFFAOYSA-N
XLogP20.62
TPSA806.37 Ų
H-Bond Donors13
H-Bond Acceptors61
Rotatable Bonds40
Heavy Atoms202
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002878.94
LogP ≤ 520.62
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1061

Analyze N-(2-chloro-6-methylphenyl)-5-[[4-(4-chlorophenyl)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;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-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-5-[[4-(4-chlorophenyl)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;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-pyridin-4-ylpiperazin-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-(4-chlorophenyl)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;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-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide (CID 158912230) is N-(2-chloro-6-methylphenyl)-5-[[4-(4-chlorophenyl)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;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-pyridin-4-ylpiperazin-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-(4-chlorophenyl)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;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-pyridin-4-ylpiperazin-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-(4-chlorophenyl)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;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-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide is CCc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(CCO)CC2)n1.CCc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(c3ccncc3)CC2)n1.COc1ccc(-c2nc(Nc3nnc(C(=O)Nc4c(C)cccc4Cl)o3)nc(N(C)C)n2)cc1.Cc1cccc(Cl)c1NC(=O)c1nnc(Nc2nc(-c3ccc(Cl)cc3)nc(N(C)C)n2)o1.Cc1cccc(Cl)c1NC(=O)c1nnc(Nc2nc(-c3ccccn3)nc(N(C)C)n2)o1.Cc1cccc(Cl)c1NC(=O)c1nnc(Nc2nc(-c3cccnc3)nc(N(C)C)n2)o1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-5-[[4-(4-chlorophenyl)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;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-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is JGUHHIPUDCSAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN10O2.C22H21ClN8O3.C21H18Cl2N8O2.C21H26ClN9O3.2C20H18ClN9O2/c1-3-18-27-22(30-23(28-18)35-13-11-34(12-14-35)16-7-9-26-10-8-16)31-24-33-32-21(37-24)20(36)29-19-15(2)5-4-6-17(19)25;1-12-6-5-7-15(23)16(12)24-18(32)19-29-30-22(34-19)28-20-25-17(26-21(27-20)31(2)3)13-8-10-14(33-4)11-9-13;1-11-5-4-6-14(23)15(11)24-17(32)18-29-30-21(33-18)28-19-25-16(26-20(27-19)31(2)3)12-7-9-13(22)10-8-12;1-3-15-23-19(26-20(24-15)31-9-7-30(8-10-31)11-12-32)27-21-29-28-18(34-21)17(33)25-16-13(2)5-4-6-14(16)22;1-11-6-4-8-13(21)14(11)23-16(31)17-28-29-20(32-17)27-18-24-15(12-7-5-9-22-10-12)25-19(26-18)30(2)3;1-11-7-6-8-12(21)14(11)23-16(31)17-28-29-20(32-17)27-18-24-15(13-9-4-5-10-22-13)25-19(26-18)30(2)3/h4-10H,3,11-14H2,1-2H3,(H,29,36)(H,27,28,30,31,33);5-11H,1-4H3,(H,24,32)(H,25,26,27,28,30);4-10H,1-3H3,(H,24,32)(H,25,26,27,28,30);4-6,32H,3,7-12H2,1-2H3,(H,25,33)(H,23,24,26,27,29);2*4-10H,1-3H3,(H,23,31)(H,24,25,26,27,29).
What are the key properties of N-(2-chloro-6-methylphenyl)-5-[[4-(4-chlorophenyl)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;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-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide?
N-(2-chloro-6-methylphenyl)-5-[[4-(4-chlorophenyl)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;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-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 2878.94 g/mol, XLogP of 20.62, 40 rotatable bonds, 13 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-5-[[4-(4-chlorophenyl)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;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-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 158912230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).