N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-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-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide

C143H155Cl2F3N50O13 — CID 158918187

IUPACN-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-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-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3ccccn3)nc(N3CCN(C)CC3)n2)o1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3cccnc3)nc(N3CCN(C)CC3)n2)o1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3ccccc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCNCC2)n1
InChIInChI=1S/C27H27F3N8O2.C26H28N8O2.2C24H24ClN9O2.C22H28N8O3.C20H24N8O2/c1-16-6-4-7-17(2)22(16)34-23(39)21-15-31-26(40-21)36-24-32-18(3)33-25(35-24)38-12-10-37(11-13-38)20-9-5-8-19(14-20)27(28,29)30;1-17-8-7-9-18(2)22(17)30-23(35)21-16-27-26(36-21)32-24-28-19(3)29-25(31-24)34-14-12-33(13-15-34)20-10-5-4-6-11-20;1-15-5-3-7-17(25)19(15)28-21(35)18-14-27-24(36-18)32-22-29-20(16-6-4-8-26-13-16)30-23(31-22)34-11-9-33(2)10-12-34;1-15-6-5-7-16(25)19(15)28-21(35)18-14-27-24(36-18)32-22-29-20(17-8-3-4-9-26-17)30-23(31-22)34-12-10-33(2)11-13-34;1-14-5-4-6-15(2)18(14)26-19(32)17-13-23-22(33-17)28-20-24-16(3)25-21(27-20)30-9-7-29(8-10-30)11-12-31;1-12-5-4-6-13(2)16(12)25-17(29)15-11-22-20(30-15)27-18-23-14(3)24-19(26-18)28-9-7-21-8-10-28/h4-9,14-15H,10-13H2,1-3H3,(H,34,39)(H,31,32,33,35,36);4-11,16H,12-15H2,1-3H3,(H,30,35)(H,27,28,29,31,32);3-8,13-14H,9-12H2,1-2H3,(H,28,35)(H,27,29,30,31,32);3-9,14H,10-13H2,1-2H3,(H,28,35)(H,27,29,30,31,32);4-6,13,31H,7-12H2,1-3H3,(H,26,32)(H,23,24,25,27,28);4-6,11,21H,7-10H2,1-3H3,(H,25,29)(H,22,23,24,26,27)
InChIKeyJHMPGVMBPKIJHP-UHFFFAOYSA-N
MW2910.05 g/mol
LogP20.58
Rot. Bonds36

About N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-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-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-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-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide (PubChem CID 158918187) has the molecular formula C143H155Cl2F3N50O13 and a molecular weight of 2910.05 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-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-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-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-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide
PubChem CID158918187
Molecular FormulaC143H155Cl2F3N50O13
Molecular Weight2910.05 g/mol
Exact Mass2907.23
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-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-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3ccccn3)nc(N3CCN(C)CC3)n2)o1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3cccnc3)nc(N3CCN(C)CC3)n2)o1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3ccccc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCNCC2)n1
InChIInChI=1S/C27H27F3N8O2.C26H28N8O2.2C24H24ClN9O2.C22H28N8O3.C20H24N8O2/c1-16-6-4-7-17(2)22(16)34-23(39)21-15-31-26(40-21)36-24-32-18(3)33-25(35-24)38-12-10-37(11-13-38)20-9-5-8-19(14-20)27(28,29)30;1-17-8-7-9-18(2)22(17)30-23(35)21-16-27-26(36-21)32-24-28-19(3)29-25(31-24)34-14-12-33(13-15-34)20-10-5-4-6-11-20;1-15-5-3-7-17(25)19(15)28-21(35)18-14-27-24(36-18)32-22-29-20(16-6-4-8-26-13-16)30-23(31-22)34-11-9-33(2)10-12-34;1-15-6-5-7-16(25)19(15)28-21(35)18-14-27-24(36-18)32-22-29-20(17-8-3-4-9-26-17)30-23(31-22)34-12-10-33(2)11-13-34;1-14-5-4-6-15(2)18(14)26-19(32)17-13-23-22(33-17)28-20-24-16(3)25-21(27-20)30-9-7-29(8-10-30)11-12-31;1-12-5-4-6-13(2)16(12)25-17(29)15-11-22-20(30-15)27-18-23-14(3)24-19(26-18)28-9-7-21-8-10-28/h4-9,14-15H,10-13H2,1-3H3,(H,34,39)(H,31,32,33,35,36);4-11,16H,12-15H2,1-3H3,(H,30,35)(H,27,28,29,31,32);3-8,13-14H,9-12H2,1-2H3,(H,28,35)(H,27,29,30,31,32);3-9,14H,10-13H2,1-2H3,(H,28,35)(H,27,29,30,31,32);4-6,13,31H,7-12H2,1-3H3,(H,26,32)(H,23,24,25,27,28);4-6,11,21H,7-10H2,1-3H3,(H,25,29)(H,22,23,24,26,27)
InChIKeyJHMPGVMBPKIJHP-UHFFFAOYSA-N
XLogP20.58
TPSA728.66 Ų
H-Bond Donors14
H-Bond Acceptors57
Rotatable Bonds36
Heavy Atoms211
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002910.05
LogP ≤ 520.58
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1057

Analyze N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-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-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-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 N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-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-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-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-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide (CID 158918187) is N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-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-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-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-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-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-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3ccccn3)nc(N3CCN(C)CC3)n2)o1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3cccnc3)nc(N3CCN(C)CC3)n2)o1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3ccccc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCNCC2)n1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-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-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide?
The InChIKey is JHMPGVMBPKIJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N8O2.C26H28N8O2.2C24H24ClN9O2.C22H28N8O3.C20H24N8O2/c1-16-6-4-7-17(2)22(16)34-23(39)21-15-31-26(40-21)36-24-32-18(3)33-25(35-24)38-12-10-37(11-13-38)20-9-5-8-19(14-20)27(28,29)30;1-17-8-7-9-18(2)22(17)30-23(35)21-16-27-26(36-21)32-24-28-19(3)29-25(31-24)34-14-12-33(13-15-34)20-10-5-4-6-11-20;1-15-5-3-7-17(25)19(15)28-21(35)18-14-27-24(36-18)32-22-29-20(16-6-4-8-26-13-16)30-23(31-22)34-11-9-33(2)10-12-34;1-15-6-5-7-16(25)19(15)28-21(35)18-14-27-24(36-18)32-22-29-20(17-8-3-4-9-26-17)30-23(31-22)34-12-10-33(2)11-13-34;1-14-5-4-6-15(2)18(14)26-19(32)17-13-23-22(33-17)28-20-24-16(3)25-21(27-20)30-9-7-29(8-10-30)11-12-31;1-12-5-4-6-13(2)16(12)25-17(29)15-11-22-20(30-15)27-18-23-14(3)24-19(26-18)28-9-7-21-8-10-28/h4-9,14-15H,10-13H2,1-3H3,(H,34,39)(H,31,32,33,35,36);4-11,16H,12-15H2,1-3H3,(H,30,35)(H,27,28,29,31,32);3-8,13-14H,9-12H2,1-2H3,(H,28,35)(H,27,29,30,31,32);3-9,14H,10-13H2,1-2H3,(H,28,35)(H,27,29,30,31,32);4-6,13,31H,7-12H2,1-3H3,(H,26,32)(H,23,24,25,27,28);4-6,11,21H,7-10H2,1-3H3,(H,25,29)(H,22,23,24,26,27).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-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-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-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-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide has a molecular weight of 2910.05 g/mol, XLogP of 20.58, 36 rotatable bonds, 14 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-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-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 158918187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).