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

C127H131Cl7N56O14 — CID 159390623

IUPAC5-[(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
SMILESC#Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N(C)C)n1.C=Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N(C)C)n1.Cc1cccc(Cl)c1NC(=O)c1nnc(Nc2nc(C3CC3)nc(N(C)C)n2)o1.Cc1cccc(Cl)c1NC(=O)c1nnc(Nc2nc(C3CCCC3)nc(N(C)C)n2)o1.Cc1cccc(Cl)c1NC(=O)c1nnc(Nc2nc(CC(C)C)nc(N(C)C)n2)o1.Cc1nc(Nc2ccccc2)nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N(C)C)n1
InChIInChI=1S/C20H23ClN8O2.C20H17ClN8O2.C19H23ClN8O2.C18H19ClN8O2.C17H17ClN8O2.C17H15ClN8O2.C16H17ClN8O2/c1-11-7-6-10-13(21)14(11)22-16(30)17-27-28-20(31-17)26-18-23-15(12-8-4-5-9-12)24-19(25-18)29(2)3;1-11-7-6-10-14(21)15(11)25-16(30)17-28-29-20(31-17)27-19-23-12(2)22-18(26-19)24-13-8-4-3-5-9-13;1-10(2)9-13-21-17(24-18(22-13)28(4)5)25-19-27-26-16(30-19)15(29)23-14-11(3)7-6-8-12(14)20;1-9-5-4-6-11(19)12(9)20-14(28)15-25-26-18(29-15)24-16-21-13(10-7-8-10)22-17(23-16)27(2)3;2*1-5-11-19-15(22-16(20-11)26(3)4)23-17-25-24-14(28-17)13(27)21-12-9(2)7-6-8-10(12)18;1-8-6-5-7-10(17)11(8)20-12(26)13-23-24-16(27-13)22-14-18-9(2)19-15(21-14)25(3)4/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,22,30)(H,23,24,25,26,28);3-10H,1-2H3,(H,25,30)(H2,22,23,24,26,27,29);6-8,10H,9H2,1-5H3,(H,23,29)(H,21,22,24,25,27);4-6,10H,7-8H2,1-3H3,(H,20,28)(H,21,22,23,24,26);5-8H,1H2,2-4H3,(H,21,27)(H,19,20,22,23,25);1,6-8H,2-4H3,(H,21,27)(H,19,20,22,23,25);5-7H,1-4H3,(H,20,26)(H,18,19,21,22,24)
InChIKeyLMBILDQDKLQFNA-UHFFFAOYSA-N
MW2913.99 g/mol
LogP22.60
Rot. Bonds41

About 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

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 (PubChem CID 159390623) has the molecular formula C127H131Cl7N56O14 and a molecular weight of 2913.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(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
PubChem CID159390623
Molecular FormulaC127H131Cl7N56O14
Molecular Weight2913.99 g/mol
Exact Mass2908.91
IUPAC Name5-[(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
SMILESC#Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N(C)C)n1.C=Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N(C)C)n1.Cc1cccc(Cl)c1NC(=O)c1nnc(Nc2nc(C3CC3)nc(N(C)C)n2)o1.Cc1cccc(Cl)c1NC(=O)c1nnc(Nc2nc(C3CCCC3)nc(N(C)C)n2)o1.Cc1cccc(Cl)c1NC(=O)c1nnc(Nc2nc(CC(C)C)nc(N(C)C)n2)o1.Cc1nc(Nc2ccccc2)nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N(C)C)n1
InChIInChI=1S/C20H23ClN8O2.C20H17ClN8O2.C19H23ClN8O2.C18H19ClN8O2.C17H17ClN8O2.C17H15ClN8O2.C16H17ClN8O2/c1-11-7-6-10-13(21)14(11)22-16(30)17-27-28-20(31-17)26-18-23-15(12-8-4-5-9-12)24-19(25-18)29(2)3;1-11-7-6-10-14(21)15(11)25-16(30)17-28-29-20(31-17)27-19-23-12(2)22-18(26-19)24-13-8-4-3-5-9-13;1-10(2)9-13-21-17(24-18(22-13)28(4)5)25-19-27-26-16(30-19)15(29)23-14-11(3)7-6-8-12(14)20;1-9-5-4-6-11(19)12(9)20-14(28)15-25-26-18(29-15)24-16-21-13(10-7-8-10)22-17(23-16)27(2)3;2*1-5-11-19-15(22-16(20-11)26(3)4)23-17-25-24-14(28-17)13(27)21-12-9(2)7-6-8-10(12)18;1-8-6-5-7-10(17)11(8)20-12(26)13-23-24-16(27-13)22-14-18-9(2)19-15(21-14)25(3)4/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,22,30)(H,23,24,25,26,28);3-10H,1-2H3,(H,25,30)(H2,22,23,24,26,27,29);6-8,10H,9H2,1-5H3,(H,23,29)(H,21,22,24,25,27);4-6,10H,7-8H2,1-3H3,(H,20,28)(H,21,22,23,24,26);5-8H,1H2,2-4H3,(H,21,27)(H,19,20,22,23,25);1,6-8H,2-4H3,(H,21,27)(H,19,20,22,23,25);5-7H,1-4H3,(H,20,26)(H,18,19,21,22,24)
InChIKeyLMBILDQDKLQFNA-UHFFFAOYSA-N
XLogP22.60
TPSA862.51 Ų
H-Bond Donors15
H-Bond Acceptors63
Rotatable Bonds41
Heavy Atoms204
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002913.99
LogP ≤ 522.60
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C#Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N(C)C)n1.C=Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N(C)C)n1.Cc1cccc(Cl)c1NC(=O)c1nnc(Nc2nc(C3CC3)nc(N(C)C)n2)o1.Cc1cccc(Cl)c1NC(=O)c1nnc(Nc2nc(C3CCCC3)nc(N(C)C)n2)o1.Cc1cccc(Cl)c1NC(=O)c1nnc(Nc2nc(CC(C)C)nc(N(C)C)n2)o1.Cc1nc(Nc2ccccc2)nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N(C)C)n1.
What is the InChIKey of 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?
The InChIKey is LMBILDQDKLQFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN8O2.C20H17ClN8O2.C19H23ClN8O2.C18H19ClN8O2.C17H17ClN8O2.C17H15ClN8O2.C16H17ClN8O2/c1-11-7-6-10-13(21)14(11)22-16(30)17-27-28-20(31-17)26-18-23-15(12-8-4-5-9-12)24-19(25-18)29(2)3;1-11-7-6-10-14(21)15(11)25-16(30)17-28-29-20(31-17)27-19-23-12(2)22-18(26-19)24-13-8-4-3-5-9-13;1-10(2)9-13-21-17(24-18(22-13)28(4)5)25-19-27-26-16(30-19)15(29)23-14-11(3)7-6-8-12(14)20;1-9-5-4-6-11(19)12(9)20-14(28)15-25-26-18(29-15)24-16-21-13(10-7-8-10)22-17(23-16)27(2)3;2*1-5-11-19-15(22-16(20-11)26(3)4)23-17-25-24-14(28-17)13(27)21-12-9(2)7-6-8-10(12)18;1-8-6-5-7-10(17)11(8)20-12(26)13-23-24-16(27-13)22-14-18-9(2)19-15(21-14)25(3)4/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,22,30)(H,23,24,25,26,28);3-10H,1-2H3,(H,25,30)(H2,22,23,24,26,27,29);6-8,10H,9H2,1-5H3,(H,23,29)(H,21,22,24,25,27);4-6,10H,7-8H2,1-3H3,(H,20,28)(H,21,22,23,24,26);5-8H,1H2,2-4H3,(H,21,27)(H,19,20,22,23,25);1,6-8H,2-4H3,(H,21,27)(H,19,20,22,23,25);5-7H,1-4H3,(H,20,26)(H,18,19,21,22,24).
What are the key properties of 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?
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 has a molecular weight of 2913.99 g/mol, XLogP of 22.60, 41 rotatable bonds, 15 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159390623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).