2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide

C170H203FN60O19 — CID 159287159

IUPAC2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide
SMILESCCCN1CCN(c2nc(C)nc(Nc3ncc(C(=O)Nc4c(C)cccc4C)o3)n2)CC1.Cc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)n1.Cc1nc(NCCO)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCC(CO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCCC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3ccc(F)cc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCOCC2)n1
InChIInChI=1S/C26H27FN8O2.C23H30N8O2.C22H27N7O3.C21H26N8O2.C20H26N8O2.C20H23N7O3.C20H23N7O2.C18H21N7O3/c1-16-5-4-6-17(2)22(16)31-23(36)21-15-28-26(37-21)33-24-29-18(3)30-25(32-24)35-13-11-34(12-14-35)20-9-7-19(27)8-10-20;1-5-9-30-10-12-31(13-11-30)22-26-17(4)25-21(28-22)29-23-24-14-18(33-23)20(32)27-19-15(2)7-6-8-16(19)3;1-13-5-4-6-14(2)18(13)26-19(31)17-11-23-22(32-17)28-20-24-15(3)25-21(27-20)29-9-7-16(12-30)8-10-29;1-13-6-5-7-14(2)17(13)25-18(30)16-12-22-21(31-16)27-19-23-15(3)24-20(26-19)29-10-8-28(4)9-11-29;1-12-7-6-8-13(2)16(12)25-17(29)15-11-22-20(30-15)27-19-24-14(3)23-18(26-19)21-9-10-28(4)5;1-12-5-4-6-13(2)16(12)24-17(28)15-11-21-20(30-15)26-18-22-14(3)23-19(25-18)27-7-9-29-10-8-27;1-12-7-6-8-13(2)16(12)24-17(28)15-11-21-20(29-15)26-18-22-14(3)23-19(25-18)27-9-4-5-10-27;1-10-5-4-6-11(2)14(10)23-15(27)13-9-20-18(28-13)25-17-22-12(3)21-16(24-17)19-7-8-26/h4-10,15H,11-14H2,1-3H3,(H,31,36)(H,28,29,30,32,33);6-8,14H,5,9-13H2,1-4H3,(H,27,32)(H,24,25,26,28,29);4-6,11,16,30H,7-10,12H2,1-3H3,(H,26,31)(H,23,24,25,27,28);5-7,12H,8-11H2,1-4H3,(H,25,30)(H,22,23,24,26,27);6-8,11H,9-10H2,1-5H3,(H,25,29)(H2,21,22,23,24,26,27);4-6,11H,7-10H2,1-3H3,(H,24,28)(H,21,22,23,25,26);6-8,11H,4-5,9-10H2,1-3H3,(H,24,28)(H,21,22,23,25,26);4-6,9,26H,7-8H2,1-3H3,(H,23,27)(H2,19,20,21,22,24,25)
InChIKeyKZQRIUOTIYVWEV-UHFFFAOYSA-N
MW3409.89 g/mol
LogP24.02
Rot. Bonds49

About 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide

2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide (PubChem CID 159287159) has the molecular formula C170H203FN60O19 and a molecular weight of 3409.89 g/mol. Its IUPAC name is 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide
PubChem CID159287159
Molecular FormulaC170H203FN60O19
Molecular Weight3409.89 g/mol
Exact Mass3407.67
IUPAC Name2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide
SMILESCCCN1CCN(c2nc(C)nc(Nc3ncc(C(=O)Nc4c(C)cccc4C)o3)n2)CC1.Cc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)n1.Cc1nc(NCCO)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCC(CO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCCC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3ccc(F)cc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCOCC2)n1
InChIInChI=1S/C26H27FN8O2.C23H30N8O2.C22H27N7O3.C21H26N8O2.C20H26N8O2.C20H23N7O3.C20H23N7O2.C18H21N7O3/c1-16-5-4-6-17(2)22(16)31-23(36)21-15-28-26(37-21)33-24-29-18(3)30-25(32-24)35-13-11-34(12-14-35)20-9-7-19(27)8-10-20;1-5-9-30-10-12-31(13-11-30)22-26-17(4)25-21(28-22)29-23-24-14-18(33-23)20(32)27-19-15(2)7-6-8-16(19)3;1-13-5-4-6-14(2)18(13)26-19(31)17-11-23-22(32-17)28-20-24-15(3)25-21(27-20)29-9-7-16(12-30)8-10-29;1-13-6-5-7-14(2)17(13)25-18(30)16-12-22-21(31-16)27-19-23-15(3)24-20(26-19)29-10-8-28(4)9-11-29;1-12-7-6-8-13(2)16(12)25-17(29)15-11-22-20(30-15)27-19-24-14(3)23-18(26-19)21-9-10-28(4)5;1-12-5-4-6-13(2)16(12)24-17(28)15-11-21-20(30-15)26-18-22-14(3)23-19(25-18)27-7-9-29-10-8-27;1-12-7-6-8-13(2)16(12)24-17(28)15-11-21-20(29-15)26-18-22-14(3)23-19(25-18)27-9-4-5-10-27;1-10-5-4-6-11(2)14(10)23-15(27)13-9-20-18(28-13)25-17-22-12(3)21-16(24-17)19-7-8-26/h4-10,15H,11-14H2,1-3H3,(H,31,36)(H,28,29,30,32,33);6-8,14H,5,9-13H2,1-4H3,(H,27,32)(H,24,25,26,28,29);4-6,11,16,30H,7-10,12H2,1-3H3,(H,26,31)(H,23,24,25,27,28);5-7,12H,8-11H2,1-4H3,(H,25,30)(H,22,23,24,26,27);6-8,11H,9-10H2,1-5H3,(H,25,29)(H2,21,22,23,24,26,27);4-6,11H,7-10H2,1-3H3,(H,24,28)(H,21,22,23,25,26);6-8,11H,4-5,9-10H2,1-3H3,(H,24,28)(H,21,22,23,25,26);4-6,9,26H,7-8H2,1-3H3,(H,23,27)(H2,19,20,21,22,24,25)
InChIKeyKZQRIUOTIYVWEV-UHFFFAOYSA-N
XLogP24.02
TPSA952.79 Ų
H-Bond Donors20
H-Bond Acceptors71
Rotatable Bonds49
Heavy Atoms250
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003409.89
LogP ≤ 524.02
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1071

Analyze 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide (CID 159287159) is 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide is CCCN1CCN(c2nc(C)nc(Nc3ncc(C(=O)Nc4c(C)cccc4C)o3)n2)CC1.Cc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)n1.Cc1nc(NCCO)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCC(CO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCCC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3ccc(F)cc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide?
The InChIKey is KZQRIUOTIYVWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN8O2.C23H30N8O2.C22H27N7O3.C21H26N8O2.C20H26N8O2.C20H23N7O3.C20H23N7O2.C18H21N7O3/c1-16-5-4-6-17(2)22(16)31-23(36)21-15-28-26(37-21)33-24-29-18(3)30-25(32-24)35-13-11-34(12-14-35)20-9-7-19(27)8-10-20;1-5-9-30-10-12-31(13-11-30)22-26-17(4)25-21(28-22)29-23-24-14-18(33-23)20(32)27-19-15(2)7-6-8-16(19)3;1-13-5-4-6-14(2)18(13)26-19(31)17-11-23-22(32-17)28-20-24-15(3)25-21(27-20)29-9-7-16(12-30)8-10-29;1-13-6-5-7-14(2)17(13)25-18(30)16-12-22-21(31-16)27-19-23-15(3)24-20(26-19)29-10-8-28(4)9-11-29;1-12-7-6-8-13(2)16(12)25-17(29)15-11-22-20(30-15)27-19-24-14(3)23-18(26-19)21-9-10-28(4)5;1-12-5-4-6-13(2)16(12)24-17(28)15-11-21-20(30-15)26-18-22-14(3)23-19(25-18)27-7-9-29-10-8-27;1-12-7-6-8-13(2)16(12)24-17(28)15-11-21-20(29-15)26-18-22-14(3)23-19(25-18)27-9-4-5-10-27;1-10-5-4-6-11(2)14(10)23-15(27)13-9-20-18(28-13)25-17-22-12(3)21-16(24-17)19-7-8-26/h4-10,15H,11-14H2,1-3H3,(H,31,36)(H,28,29,30,32,33);6-8,14H,5,9-13H2,1-4H3,(H,27,32)(H,24,25,26,28,29);4-6,11,16,30H,7-10,12H2,1-3H3,(H,26,31)(H,23,24,25,27,28);5-7,12H,8-11H2,1-4H3,(H,25,30)(H,22,23,24,26,27);6-8,11H,9-10H2,1-5H3,(H,25,29)(H2,21,22,23,24,26,27);4-6,11H,7-10H2,1-3H3,(H,24,28)(H,21,22,23,25,26);6-8,11H,4-5,9-10H2,1-3H3,(H,24,28)(H,21,22,23,25,26);4-6,9,26H,7-8H2,1-3H3,(H,23,27)(H2,19,20,21,22,24,25).
What are the key properties of 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide?
2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide has a molecular weight of 3409.89 g/mol, XLogP of 24.02, 49 rotatable bonds, 20 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 159287159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).