N-(2-chloro-6-methylphenyl)-5-[[4-[2-(diethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide

C122H138Cl6FN51O14 — CID 157322762

IUPACN-(2-chloro-6-methylphenyl)-5-[[4-[2-(diethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide
SMILESCCCN1CCN(c2nc(C)nc(Nc3nnc(C(=O)Nc4c(C)cccc4Cl)o3)n2)CC1.CCN(CC)CCNc1nc(C)nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCC(CO)CC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCCCC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(c3ccc(F)cc3)CC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCOCC2)n1
InChIInChI=1S/C24H23ClFN9O2.C21H26ClN9O2.C20H26ClN9O2.C20H23ClN8O3.C19H21ClN8O2.C18H19ClN8O3/c1-14-4-3-5-18(25)19(14)29-20(36)21-32-33-24(37-21)31-22-27-15(2)28-23(30-22)35-12-10-34(11-13-35)17-8-6-16(26)7-9-17;1-4-8-30-9-11-31(12-10-30)20-24-14(3)23-19(26-20)27-21-29-28-18(33-21)17(32)25-16-13(2)6-5-7-15(16)22;1-5-30(6-2)11-10-22-18-23-13(4)24-19(26-18)27-20-29-28-17(32-20)16(31)25-15-12(3)8-7-9-14(15)21;1-11-4-3-5-14(21)15(11)24-16(31)17-27-28-20(32-17)26-18-22-12(2)23-19(25-18)29-8-6-13(10-30)7-9-29;1-11-7-6-8-13(20)14(11)23-15(29)16-26-27-19(30-16)25-17-21-12(2)22-18(24-17)28-9-4-3-5-10-28;1-10-4-3-5-12(19)13(10)22-14(28)15-25-26-18(30-15)24-16-20-11(2)21-17(23-16)27-6-8-29-9-7-27/h3-9H,10-13H2,1-2H3,(H,29,36)(H,27,28,30,31,33);5-7H,4,8-12H2,1-3H3,(H,25,32)(H,23,24,26,27,29);7-9H,5-6,10-11H2,1-4H3,(H,25,31)(H2,22,23,24,26,27,29);3-5,13,30H,6-10H2,1-2H3,(H,24,31)(H,22,23,25,26,28);6-8H,3-5,9-10H2,1-2H3,(H,23,29)(H,21,22,24,25,27);3-5H,6-9H2,1-2H3,(H,22,28)(H,20,21,23,24,26)
InChIKeyBEJCFQLODQZXLB-UHFFFAOYSA-N
MW2774.50 g/mol
LogP18.91
Rot. Bonds39

About N-(2-chloro-6-methylphenyl)-5-[[4-[2-(diethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide

N-(2-chloro-6-methylphenyl)-5-[[4-[2-(diethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 157322762) has the molecular formula C122H138Cl6FN51O14 and a molecular weight of 2774.50 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-5-[[4-[2-(diethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-5-[[4-[2-(diethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide
PubChem CID157322762
Molecular FormulaC122H138Cl6FN51O14
Molecular Weight2774.50 g/mol
Exact Mass2769.98
IUPAC NameN-(2-chloro-6-methylphenyl)-5-[[4-[2-(diethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide
SMILESCCCN1CCN(c2nc(C)nc(Nc3nnc(C(=O)Nc4c(C)cccc4Cl)o3)n2)CC1.CCN(CC)CCNc1nc(C)nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCC(CO)CC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCCCC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(c3ccc(F)cc3)CC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCOCC2)n1
InChIInChI=1S/C24H23ClFN9O2.C21H26ClN9O2.C20H26ClN9O2.C20H23ClN8O3.C19H21ClN8O2.C18H19ClN8O3/c1-14-4-3-5-18(25)19(14)29-20(36)21-32-33-24(37-21)31-22-27-15(2)28-23(30-22)35-12-10-34(11-13-35)17-8-6-16(26)7-9-17;1-4-8-30-9-11-31(12-10-30)20-24-14(3)23-19(26-20)27-21-29-28-18(33-21)17(32)25-16-13(2)6-5-7-15(16)22;1-5-30(6-2)11-10-22-18-23-13(4)24-19(26-18)27-20-29-28-17(32-20)16(31)25-15-12(3)8-7-9-14(15)21;1-11-4-3-5-14(21)15(11)24-16(31)17-27-28-20(32-17)26-18-22-12(2)23-19(25-18)29-8-6-13(10-30)7-9-29;1-11-7-6-8-13(20)14(11)23-15(29)16-26-27-19(30-16)25-17-21-12(2)22-18(24-17)28-9-4-3-5-10-28;1-10-4-3-5-12(19)13(10)22-14(28)15-25-26-18(30-15)24-16-20-11(2)21-17(23-16)27-6-8-29-9-7-27/h3-9H,10-13H2,1-2H3,(H,29,36)(H,27,28,30,31,33);5-7H,4,8-12H2,1-3H3,(H,25,32)(H,23,24,26,27,29);7-9H,5-6,10-11H2,1-4H3,(H,25,31)(H2,22,23,24,26,27,29);3-5,13,30H,6-10H2,1-2H3,(H,24,31)(H,22,23,25,26,28);6-8H,3-5,9-10H2,1-2H3,(H,23,29)(H,21,22,24,25,27);3-5H,6-9H2,1-2H3,(H,22,28)(H,20,21,23,24,26)
InChIKeyBEJCFQLODQZXLB-UHFFFAOYSA-N
XLogP18.91
TPSA779.73 Ų
H-Bond Donors14
H-Bond Acceptors59
Rotatable Bonds39
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002774.50
LogP ≤ 518.91
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1059

Analyze N-(2-chloro-6-methylphenyl)-5-[[4-[2-(diethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide with MolForge

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Related Compounds

N-(2-chloro-6-methylphenyl)-5-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide
CID 159053916
5-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-cyclopentyl-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-cyclopropyl-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-ethenyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-ethynyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide
CID 159390623
N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(dimethylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 159580024
N-(2-chloro-6-methylphenyl)-5-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide
CID 160172189
CID 160246088
CID 160246088

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-5-[[4-[2-(diethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-5-[[4-[2-(diethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide (CID 157322762) is N-(2-chloro-6-methylphenyl)-5-[[4-[2-(diethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-5-[[4-[2-(diethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-5-[[4-[2-(diethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide is CCCN1CCN(c2nc(C)nc(Nc3nnc(C(=O)Nc4c(C)cccc4Cl)o3)n2)CC1.CCN(CC)CCNc1nc(C)nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCC(CO)CC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCCCC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(c3ccc(F)cc3)CC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-5-[[4-[2-(diethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is BEJCFQLODQZXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN9O2.C21H26ClN9O2.C20H26ClN9O2.C20H23ClN8O3.C19H21ClN8O2.C18H19ClN8O3/c1-14-4-3-5-18(25)19(14)29-20(36)21-32-33-24(37-21)31-22-27-15(2)28-23(30-22)35-12-10-34(11-13-35)17-8-6-16(26)7-9-17;1-4-8-30-9-11-31(12-10-30)20-24-14(3)23-19(26-20)27-21-29-28-18(33-21)17(32)25-16-13(2)6-5-7-15(16)22;1-5-30(6-2)11-10-22-18-23-13(4)24-19(26-18)27-20-29-28-17(32-20)16(31)25-15-12(3)8-7-9-14(15)21;1-11-4-3-5-14(21)15(11)24-16(31)17-27-28-20(32-17)26-18-22-12(2)23-19(25-18)29-8-6-13(10-30)7-9-29;1-11-7-6-8-13(20)14(11)23-15(29)16-26-27-19(30-16)25-17-21-12(2)22-18(24-17)28-9-4-3-5-10-28;1-10-4-3-5-12(19)13(10)22-14(28)15-25-26-18(30-15)24-16-20-11(2)21-17(23-16)27-6-8-29-9-7-27/h3-9H,10-13H2,1-2H3,(H,29,36)(H,27,28,30,31,33);5-7H,4,8-12H2,1-3H3,(H,25,32)(H,23,24,26,27,29);7-9H,5-6,10-11H2,1-4H3,(H,25,31)(H2,22,23,24,26,27,29);3-5,13,30H,6-10H2,1-2H3,(H,24,31)(H,22,23,25,26,28);6-8H,3-5,9-10H2,1-2H3,(H,23,29)(H,21,22,24,25,27);3-5H,6-9H2,1-2H3,(H,22,28)(H,20,21,23,24,26).
What are the key properties of N-(2-chloro-6-methylphenyl)-5-[[4-[2-(diethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide?
N-(2-chloro-6-methylphenyl)-5-[[4-[2-(diethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 2774.50 g/mol, XLogP of 18.91, 39 rotatable bonds, 14 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-5-[[4-[2-(diethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[(4-methyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 157322762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).