N-(2-chloro-4,6-dimethylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide

C144H175ClF3N47O14 — CID 161333114

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide
SMILESCCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cc(C)cc3C)o2)n1.CCc1nc(NCCO)nc(Nc2ncc(C(=O)Nc3c(C)cc(C)cc3Cl)o2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cc(C)cc3C)o2)nc(N2CCN(CCO)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cc(C)cc3C)o2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cc(C)cc3C)o2)nc(N2CCN(c3ccccc3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cc(C)cc3C)o2)nc(N2CCNCC2)n1
InChIInChI=1S/C29H31F3N8O2.C28H32N8O2.C24H32N8O3.C22H28N8O2.C22H30N8O2.C19H22ClN7O3/c1-5-23-34-26(38-28-33-16-22(42-28)25(41)36-24-18(3)13-17(2)14-19(24)4)37-27(35-23)40-11-9-39(10-12-40)21-8-6-7-20(15-21)29(30,31)32;1-5-23-30-26(33-27(31-23)36-13-11-35(12-14-36)21-9-7-6-8-10-21)34-28-29-17-22(38-28)25(37)32-24-19(3)15-18(2)16-20(24)4;1-5-19-26-22(29-23(27-19)32-8-6-31(7-9-32)10-11-33)30-24-25-14-18(35-24)21(34)28-20-16(3)12-15(2)13-17(20)4;1-5-17-25-20(28-21(26-17)30-8-6-23-7-9-30)29-22-24-12-16(32-22)19(31)27-18-14(3)10-13(2)11-15(18)4;1-7-17-25-20(23-8-9-30(5)6)28-21(26-17)29-22-24-12-16(32-22)19(31)27-18-14(3)10-13(2)11-15(18)4;1-4-14-23-17(21-5-6-28)26-18(24-14)27-19-22-9-13(30-19)16(29)25-15-11(3)7-10(2)8-12(15)20/h6-8,13-16H,5,9-12H2,1-4H3,(H,36,41)(H,33,34,35,37,38);6-10,15-17H,5,11-14H2,1-4H3,(H,32,37)(H,29,30,31,33,34);12-14,33H,5-11H2,1-4H3,(H,28,34)(H,25,26,27,29,30);10-12,23H,5-9H2,1-4H3,(H,27,31)(H,24,25,26,28,29);10-12H,7-9H2,1-6H3,(H,27,31)(H2,23,24,25,26,28,29);7-9,28H,4-6H2,1-3H3,(H,25,29)(H2,21,22,23,24,26,27)
InChIKeyVLRIJXAGHMGUME-UHFFFAOYSA-N
MW2880.75 g/mol
LogP21.98
Rot. Bonds45

About N-(2-chloro-4,6-dimethylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide (PubChem CID 161333114) has the molecular formula C144H175ClF3N47O14 and a molecular weight of 2880.75 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide
PubChem CID161333114
Molecular FormulaC144H175ClF3N47O14
Molecular Weight2880.75 g/mol
Exact Mass2878.41
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide
SMILESCCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cc(C)cc3C)o2)n1.CCc1nc(NCCO)nc(Nc2ncc(C(=O)Nc3c(C)cc(C)cc3Cl)o2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cc(C)cc3C)o2)nc(N2CCN(CCO)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cc(C)cc3C)o2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cc(C)cc3C)o2)nc(N2CCN(c3ccccc3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cc(C)cc3C)o2)nc(N2CCNCC2)n1
InChIInChI=1S/C29H31F3N8O2.C28H32N8O2.C24H32N8O3.C22H28N8O2.C22H30N8O2.C19H22ClN7O3/c1-5-23-34-26(38-28-33-16-22(42-28)25(41)36-24-18(3)13-17(2)14-19(24)4)37-27(35-23)40-11-9-39(10-12-40)21-8-6-7-20(15-21)29(30,31)32;1-5-23-30-26(33-27(31-23)36-13-11-35(12-14-36)21-9-7-6-8-10-21)34-28-29-17-22(38-28)25(37)32-24-19(3)15-18(2)16-20(24)4;1-5-19-26-22(29-23(27-19)32-8-6-31(7-9-32)10-11-33)30-24-25-14-18(35-24)21(34)28-20-16(3)12-15(2)13-17(20)4;1-5-17-25-20(28-21(26-17)30-8-6-23-7-9-30)29-22-24-12-16(32-22)19(31)27-18-14(3)10-13(2)11-15(18)4;1-7-17-25-20(23-8-9-30(5)6)28-21(26-17)29-22-24-12-16(32-22)19(31)27-18-14(3)10-13(2)11-15(18)4;1-4-14-23-17(21-5-6-28)26-18(24-14)27-19-22-9-13(30-19)16(29)25-15-11(3)7-10(2)8-12(15)20/h6-8,13-16H,5,9-12H2,1-4H3,(H,36,41)(H,33,34,35,37,38);6-10,15-17H,5,11-14H2,1-4H3,(H,32,37)(H,29,30,31,33,34);12-14,33H,5-11H2,1-4H3,(H,28,34)(H,25,26,27,29,30);10-12,23H,5-9H2,1-4H3,(H,27,31)(H,24,25,26,28,29);10-12H,7-9H2,1-6H3,(H,27,31)(H2,23,24,25,26,28,29);7-9,28H,4-6H2,1-3H3,(H,25,29)(H2,21,22,23,24,26,27)
InChIKeyVLRIJXAGHMGUME-UHFFFAOYSA-N
XLogP21.98
TPSA737.45 Ų
H-Bond Donors17
H-Bond Acceptors55
Rotatable Bonds45
Heavy Atoms209
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002880.75
LogP ≤ 521.98
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1055

Analyze N-(2-chloro-4,6-dimethylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-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 N-(2-chloro-4,6-dimethylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide (CID 161333114) is N-(2-chloro-4,6-dimethylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-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 N-(2-chloro-4,6-dimethylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide is CCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cc(C)cc3C)o2)n1.CCc1nc(NCCO)nc(Nc2ncc(C(=O)Nc3c(C)cc(C)cc3Cl)o2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cc(C)cc3C)o2)nc(N2CCN(CCO)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cc(C)cc3C)o2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cc(C)cc3C)o2)nc(N2CCN(c3ccccc3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cc(C)cc3C)o2)nc(N2CCNCC2)n1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide?
The InChIKey is VLRIJXAGHMGUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N8O2.C28H32N8O2.C24H32N8O3.C22H28N8O2.C22H30N8O2.C19H22ClN7O3/c1-5-23-34-26(38-28-33-16-22(42-28)25(41)36-24-18(3)13-17(2)14-19(24)4)37-27(35-23)40-11-9-39(10-12-40)21-8-6-7-20(15-21)29(30,31)32;1-5-23-30-26(33-27(31-23)36-13-11-35(12-14-36)21-9-7-6-8-10-21)34-28-29-17-22(38-28)25(37)32-24-19(3)15-18(2)16-20(24)4;1-5-19-26-22(29-23(27-19)32-8-6-31(7-9-32)10-11-33)30-24-25-14-18(35-24)21(34)28-20-16(3)12-15(2)13-17(20)4;1-5-17-25-20(28-21(26-17)30-8-6-23-7-9-30)29-22-24-12-16(32-22)19(31)27-18-14(3)10-13(2)11-15(18)4;1-7-17-25-20(23-8-9-30(5)6)28-21(26-17)29-22-24-12-16(32-22)19(31)27-18-14(3)10-13(2)11-15(18)4;1-4-14-23-17(21-5-6-28)26-18(24-14)27-19-22-9-13(30-19)16(29)25-15-11(3)7-10(2)8-12(15)20/h6-8,13-16H,5,9-12H2,1-4H3,(H,36,41)(H,33,34,35,37,38);6-10,15-17H,5,11-14H2,1-4H3,(H,32,37)(H,29,30,31,33,34);12-14,33H,5-11H2,1-4H3,(H,28,34)(H,25,26,27,29,30);10-12,23H,5-9H2,1-4H3,(H,27,31)(H,24,25,26,28,29);10-12H,7-9H2,1-6H3,(H,27,31)(H2,23,24,25,26,28,29);7-9,28H,4-6H2,1-3H3,(H,25,29)(H2,21,22,23,24,26,27).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide has a molecular weight of 2880.75 g/mol, XLogP of 21.98, 45 rotatable bonds, 17 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 161333114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).