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

C171H214N60O20 — CID 158614130

IUPAC2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCC(CO)CC4)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCCC4)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(C)CC4)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(CCO)CC4)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCNCC4)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCOCC4)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(NCCN(C)C)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(NCCO)n3)o2)c(C)c1
InChIInChI=1S/C23H30N8O3.C23H29N7O3.C22H28N8O2.C21H26N8O2.C21H28N8O2.C21H25N7O3.C21H25N7O2.C19H23N7O3/c1-14-11-15(2)19(16(3)12-14)27-20(33)18-13-24-23(34-18)29-21-25-17(4)26-22(28-21)31-7-5-30(6-8-31)9-10-32;1-13-9-14(2)19(15(3)10-13)27-20(32)18-11-24-23(33-18)29-21-25-16(4)26-22(28-21)30-7-5-17(12-31)6-8-30;1-13-10-14(2)18(15(3)11-13)26-19(31)17-12-23-22(32-17)28-20-24-16(4)25-21(27-20)30-8-6-29(5)7-9-30;1-12-9-13(2)17(14(3)10-12)26-18(30)16-11-23-21(31-16)28-19-24-15(4)25-20(27-19)29-7-5-22-6-8-29;1-12-9-13(2)17(14(3)10-12)26-18(30)16-11-23-21(31-16)28-20-25-15(4)24-19(27-20)22-7-8-29(5)6;1-12-9-13(2)17(14(3)10-12)25-18(29)16-11-22-21(31-16)27-19-23-15(4)24-20(26-19)28-5-7-30-8-6-28;1-12-9-13(2)17(14(3)10-12)25-18(29)16-11-22-21(30-16)27-19-23-15(4)24-20(26-19)28-7-5-6-8-28;1-10-7-11(2)15(12(3)8-10)24-16(28)14-9-21-19(29-14)26-18-23-13(4)22-17(25-18)20-5-6-27/h11-13,32H,5-10H2,1-4H3,(H,27,33)(H,24,25,26,28,29);9-11,17,31H,5-8,12H2,1-4H3,(H,27,32)(H,24,25,26,28,29);10-12H,6-9H2,1-5H3,(H,26,31)(H,23,24,25,27,28);9-11,22H,5-8H2,1-4H3,(H,26,30)(H,23,24,25,27,28);9-11H,7-8H2,1-6H3,(H,26,30)(H2,22,23,24,25,27,28);9-11H,5-8H2,1-4H3,(H,25,29)(H,22,23,24,26,27);9-11H,5-8H2,1-4H3,(H,25,29)(H,22,23,24,26,27);7-9,27H,5-6H2,1-4H3,(H,24,28)(H2,20,21,22,23,25,26)
InChIKeyHXENORDSFAPLQN-UHFFFAOYSA-N
MW3429.99 g/mol
LogP23.01
Rot. Bonds48

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

2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide (PubChem CID 158614130) has the molecular formula C171H214N60O20 and a molecular weight of 3429.99 g/mol. Its IUPAC name is 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide
PubChem CID158614130
Molecular FormulaC171H214N60O20
Molecular Weight3429.99 g/mol
Exact Mass3427.76
IUPAC Name2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCC(CO)CC4)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCCC4)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(C)CC4)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(CCO)CC4)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCNCC4)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCOCC4)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(NCCN(C)C)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(NCCO)n3)o2)c(C)c1
InChIInChI=1S/C23H30N8O3.C23H29N7O3.C22H28N8O2.C21H26N8O2.C21H28N8O2.C21H25N7O3.C21H25N7O2.C19H23N7O3/c1-14-11-15(2)19(16(3)12-14)27-20(33)18-13-24-23(34-18)29-21-25-17(4)26-22(28-21)31-7-5-30(6-8-31)9-10-32;1-13-9-14(2)19(15(3)10-13)27-20(32)18-11-24-23(33-18)29-21-25-16(4)26-22(28-21)30-7-5-17(12-31)6-8-30;1-13-10-14(2)18(15(3)11-13)26-19(31)17-12-23-22(32-17)28-20-24-16(4)25-21(27-20)30-8-6-29(5)7-9-30;1-12-9-13(2)17(14(3)10-12)26-18(30)16-11-23-21(31-16)28-19-24-15(4)25-20(27-19)29-7-5-22-6-8-29;1-12-9-13(2)17(14(3)10-12)26-18(30)16-11-23-21(31-16)28-20-25-15(4)24-19(27-20)22-7-8-29(5)6;1-12-9-13(2)17(14(3)10-12)25-18(29)16-11-22-21(31-16)27-19-23-15(4)24-20(26-19)28-5-7-30-8-6-28;1-12-9-13(2)17(14(3)10-12)25-18(29)16-11-22-21(30-16)27-19-23-15(4)24-20(26-19)28-7-5-6-8-28;1-10-7-11(2)15(12(3)8-10)24-16(28)14-9-21-19(29-14)26-18-23-13(4)22-17(25-18)20-5-6-27/h11-13,32H,5-10H2,1-4H3,(H,27,33)(H,24,25,26,28,29);9-11,17,31H,5-8,12H2,1-4H3,(H,27,32)(H,24,25,26,28,29);10-12H,6-9H2,1-5H3,(H,26,31)(H,23,24,25,27,28);9-11,22H,5-8H2,1-4H3,(H,26,30)(H,23,24,25,27,28);9-11H,7-8H2,1-6H3,(H,26,30)(H2,22,23,24,25,27,28);9-11H,5-8H2,1-4H3,(H,25,29)(H,22,23,24,26,27);9-11H,5-8H2,1-4H3,(H,25,29)(H,22,23,24,26,27);7-9,27H,5-6H2,1-4H3,(H,24,28)(H2,20,21,22,23,25,26)
InChIKeyHXENORDSFAPLQN-UHFFFAOYSA-N
XLogP23.01
TPSA981.81 Ų
H-Bond Donors22
H-Bond Acceptors72
Rotatable Bonds48
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003429.99
LogP ≤ 523.01
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1072

Analyze 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-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-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide (CID 158614130) is 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-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-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide is Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCC(CO)CC4)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCCC4)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(C)CC4)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(CCO)CC4)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCNCC4)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCOCC4)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(NCCN(C)C)n3)o2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(NCCO)n3)o2)c(C)c1.
What is the InChIKey of 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide?
The InChIKey is HXENORDSFAPLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O3.C23H29N7O3.C22H28N8O2.C21H26N8O2.C21H28N8O2.C21H25N7O3.C21H25N7O2.C19H23N7O3/c1-14-11-15(2)19(16(3)12-14)27-20(33)18-13-24-23(34-18)29-21-25-17(4)26-22(28-21)31-7-5-30(6-8-31)9-10-32;1-13-9-14(2)19(15(3)10-13)27-20(32)18-11-24-23(33-18)29-21-25-16(4)26-22(28-21)30-7-5-17(12-31)6-8-30;1-13-10-14(2)18(15(3)11-13)26-19(31)17-12-23-22(32-17)28-20-24-16(4)25-21(27-20)30-8-6-29(5)7-9-30;1-12-9-13(2)17(14(3)10-12)26-18(30)16-11-23-21(31-16)28-19-24-15(4)25-20(27-19)29-7-5-22-6-8-29;1-12-9-13(2)17(14(3)10-12)26-18(30)16-11-23-21(31-16)28-20-25-15(4)24-19(27-20)22-7-8-29(5)6;1-12-9-13(2)17(14(3)10-12)25-18(29)16-11-22-21(31-16)27-19-23-15(4)24-20(26-19)28-5-7-30-8-6-28;1-12-9-13(2)17(14(3)10-12)25-18(29)16-11-22-21(30-16)27-19-23-15(4)24-20(26-19)28-7-5-6-8-28;1-10-7-11(2)15(12(3)8-10)24-16(28)14-9-21-19(29-14)26-18-23-13(4)22-17(25-18)20-5-6-27/h11-13,32H,5-10H2,1-4H3,(H,27,33)(H,24,25,26,28,29);9-11,17,31H,5-8,12H2,1-4H3,(H,27,32)(H,24,25,26,28,29);10-12H,6-9H2,1-5H3,(H,26,31)(H,23,24,25,27,28);9-11,22H,5-8H2,1-4H3,(H,26,30)(H,23,24,25,27,28);9-11H,7-8H2,1-6H3,(H,26,30)(H2,22,23,24,25,27,28);9-11H,5-8H2,1-4H3,(H,25,29)(H,22,23,24,26,27);9-11H,5-8H2,1-4H3,(H,25,29)(H,22,23,24,26,27);7-9,27H,5-6H2,1-4H3,(H,24,28)(H2,20,21,22,23,25,26).
What are the key properties of 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide?
2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide has a molecular weight of 3429.99 g/mol, XLogP of 23.01, 48 rotatable bonds, 22 hydrogen bond donors, and 72 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-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 158614130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).