2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[2-(diethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-methyl-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

C166H195F4N53O14 — CID 158793147

IUPAC2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[2-(diethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-methyl-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
SMILESCCCN1CCN(c2nc(CC)nc(Nc3ncc(C(=O)Nc4c(C)cccc4C)o3)n2)CC1.CCc1nc(NCCN(CC)CC)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)n1.CCc1nc(Nc2ccccc2)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N(C)C)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCCCC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3ccc(F)cc3)CC2)n1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)n3)o2)c(C)c1
InChIInChI=1S/C28H29F3N8O2.C27H29FN8O2.C24H32N8O2.C23H32N8O2.C23H23N7O2.C22H27N7O2.C19H23N7O2/c1-16-12-17(2)23(18(3)13-16)35-24(40)22-15-32-27(41-22)37-25-33-19(4)34-26(36-25)39-10-8-38(9-11-39)21-7-5-6-20(14-21)28(29,30)31;1-4-22-30-25(33-26(31-22)36-14-12-35(13-15-36)20-10-8-19(28)9-11-20)34-27-29-16-21(38-27)24(37)32-23-17(2)6-5-7-18(23)3;1-5-10-31-11-13-32(14-12-31)23-27-19(6-2)26-22(29-23)30-24-25-15-18(34-24)21(33)28-20-16(3)8-7-9-17(20)4;1-6-18-26-21(24-12-13-31(7-2)8-3)29-22(27-18)30-23-25-14-17(33-23)20(32)28-19-15(4)10-9-11-16(19)5;1-4-18-26-21(25-16-11-6-5-7-12-16)29-22(27-18)30-23-24-13-17(32-23)20(31)28-19-14(2)9-8-10-15(19)3;1-4-17-24-20(27-21(25-17)29-11-6-5-7-12-29)28-22-23-13-16(31-22)19(30)26-18-14(2)9-8-10-15(18)3;1-6-14-21-17(24-18(22-14)26(4)5)25-19-20-10-13(28-19)16(27)23-15-11(2)8-7-9-12(15)3/h5-7,12-15H,8-11H2,1-4H3,(H,35,40)(H,32,33,34,36,37);5-11,16H,4,12-15H2,1-3H3,(H,32,37)(H,29,30,31,33,34);7-9,15H,5-6,10-14H2,1-4H3,(H,28,33)(H,25,26,27,29,30);9-11,14H,6-8,12-13H2,1-5H3,(H,28,32)(H2,24,25,26,27,29,30);5-13H,4H2,1-3H3,(H,28,31)(H2,24,25,26,27,29,30);8-10,13H,4-7,11-12H2,1-3H3,(H,26,30)(H,23,24,25,27,28);7-10H,6H2,1-5H3,(H,23,27)(H,20,21,22,24,25)
InChIKeyISNLCRGRDMKTPH-UHFFFAOYSA-N
MW3232.73 g/mol
LogP29.19
Rot. Bonds51

About 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[2-(diethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-methyl-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

2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[2-(diethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-methyl-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 158793147) has the molecular formula C166H195F4N53O14 and a molecular weight of 3232.73 g/mol. Its IUPAC name is 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[2-(diethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-methyl-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 Name2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[2-(diethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-methyl-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 CID158793147
Molecular FormulaC166H195F4N53O14
Molecular Weight3232.73 g/mol
Exact Mass3230.61
IUPAC Name2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[2-(diethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-methyl-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
SMILESCCCN1CCN(c2nc(CC)nc(Nc3ncc(C(=O)Nc4c(C)cccc4C)o3)n2)CC1.CCc1nc(NCCN(CC)CC)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)n1.CCc1nc(Nc2ccccc2)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N(C)C)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCCCC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3ccc(F)cc3)CC2)n1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)n3)o2)c(C)c1
InChIInChI=1S/C28H29F3N8O2.C27H29FN8O2.C24H32N8O2.C23H32N8O2.C23H23N7O2.C22H27N7O2.C19H23N7O2/c1-16-12-17(2)23(18(3)13-16)35-24(40)22-15-32-27(41-22)37-25-33-19(4)34-26(36-25)39-10-8-38(9-11-39)21-7-5-6-20(14-21)28(29,30)31;1-4-22-30-25(33-26(31-22)36-14-12-35(13-15-36)20-10-8-19(28)9-11-20)34-27-29-16-21(38-27)24(37)32-23-17(2)6-5-7-18(23)3;1-5-10-31-11-13-32(14-12-31)23-27-19(6-2)26-22(29-23)30-24-25-15-18(34-24)21(33)28-20-16(3)8-7-9-17(20)4;1-6-18-26-21(24-12-13-31(7-2)8-3)29-22(27-18)30-23-25-14-17(33-23)20(32)28-19-15(4)10-9-11-16(19)5;1-4-18-26-21(25-16-11-6-5-7-12-16)29-22(27-18)30-23-24-13-17(32-23)20(31)28-19-14(2)9-8-10-15(19)3;1-4-17-24-20(27-21(25-17)29-11-6-5-7-12-29)28-22-23-13-16(31-22)19(30)26-18-14(2)9-8-10-15(18)3;1-6-14-21-17(24-18(22-14)26(4)5)25-19-20-10-13(28-19)16(27)23-15-11(2)8-7-9-12(15)3/h5-7,12-15H,8-11H2,1-4H3,(H,35,40)(H,32,33,34,36,37);5-11,16H,4,12-15H2,1-3H3,(H,32,37)(H,29,30,31,33,34);7-9,15H,5-6,10-14H2,1-4H3,(H,28,33)(H,25,26,27,29,30);9-11,14H,6-8,12-13H2,1-5H3,(H,28,32)(H2,24,25,26,27,29,30);5-13H,4H2,1-3H3,(H,28,31)(H2,24,25,26,27,29,30);8-10,13H,4-7,11-12H2,1-3H3,(H,26,30)(H,23,24,25,27,28);7-10H,6H2,1-5H3,(H,23,27)(H,20,21,22,24,25)
InChIKeyISNLCRGRDMKTPH-UHFFFAOYSA-N
XLogP29.19
TPSA794.03 Ų
H-Bond Donors16
H-Bond Acceptors60
Rotatable Bonds51
Heavy Atoms237
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003232.73
LogP ≤ 529.19
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1060

Analyze 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[2-(diethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-methyl-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[2-(diethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-methyl-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 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[2-(diethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-methyl-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 158793147) is 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[2-(diethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-methyl-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 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[2-(diethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-methyl-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 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[2-(diethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-methyl-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 CCCN1CCN(c2nc(CC)nc(Nc3ncc(C(=O)Nc4c(C)cccc4C)o3)n2)CC1.CCc1nc(NCCN(CC)CC)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)n1.CCc1nc(Nc2ccccc2)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N(C)C)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCCCC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3ccc(F)cc3)CC2)n1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)n3)o2)c(C)c1.
What is the InChIKey of 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[2-(diethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-methyl-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 ISNLCRGRDMKTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N8O2.C27H29FN8O2.C24H32N8O2.C23H32N8O2.C23H23N7O2.C22H27N7O2.C19H23N7O2/c1-16-12-17(2)23(18(3)13-16)35-24(40)22-15-32-27(41-22)37-25-33-19(4)34-26(36-25)39-10-8-38(9-11-39)21-7-5-6-20(14-21)28(29,30)31;1-4-22-30-25(33-26(31-22)36-14-12-35(13-15-36)20-10-8-19(28)9-11-20)34-27-29-16-21(38-27)24(37)32-23-17(2)6-5-7-18(23)3;1-5-10-31-11-13-32(14-12-31)23-27-19(6-2)26-22(29-23)30-24-25-15-18(34-24)21(33)28-20-16(3)8-7-9-17(20)4;1-6-18-26-21(24-12-13-31(7-2)8-3)29-22(27-18)30-23-25-14-17(33-23)20(32)28-19-15(4)10-9-11-16(19)5;1-4-18-26-21(25-16-11-6-5-7-12-16)29-22(27-18)30-23-24-13-17(32-23)20(31)28-19-14(2)9-8-10-15(19)3;1-4-17-24-20(27-21(25-17)29-11-6-5-7-12-29)28-22-23-13-16(31-22)19(30)26-18-14(2)9-8-10-15(18)3;1-6-14-21-17(24-18(22-14)26(4)5)25-19-20-10-13(28-19)16(27)23-15-11(2)8-7-9-12(15)3/h5-7,12-15H,8-11H2,1-4H3,(H,35,40)(H,32,33,34,36,37);5-11,16H,4,12-15H2,1-3H3,(H,32,37)(H,29,30,31,33,34);7-9,15H,5-6,10-14H2,1-4H3,(H,28,33)(H,25,26,27,29,30);9-11,14H,6-8,12-13H2,1-5H3,(H,28,32)(H2,24,25,26,27,29,30);5-13H,4H2,1-3H3,(H,28,31)(H2,24,25,26,27,29,30);8-10,13H,4-7,11-12H2,1-3H3,(H,26,30)(H,23,24,25,27,28);7-10H,6H2,1-5H3,(H,23,27)(H,20,21,22,24,25).
What are the key properties of 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[2-(diethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-methyl-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?
2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[2-(diethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-methyl-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 3232.73 g/mol, XLogP of 29.19, 51 rotatable bonds, 16 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-[2-(diethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-methyl-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 158793147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).