2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-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-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide

C127H138Cl6N46O12 — CID 158711413

About 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-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-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide

2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-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-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide (PubChem CID 158711413) has the molecular formula C127H138Cl6N46O12 and a molecular weight of 2713.53 g/mol. Its IUPAC name is 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-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-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-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-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide
• PubChem CID: 158711413
• Molecular Formula: C127H138Cl6N46O12
• Molecular Weight: 2713.53 g/mol
• Exact Mass: 2708.97
• IUPAC Name: 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-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-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide
• SMILES: C#Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(C)CC2)n1.C=Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ccccc2)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)o2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N(C)C)n1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCN(C)CC3)n2)o1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCN(C)CC3)n2)o1
• InChI: InChI=1S/C23H29ClN8O2.C22H25ClN8O2.C22H20ClN7O2.C21H23ClN8O2.C21H21ClN8O2.C18H20ClN7O2/c1-14(2)12-18-26-21(29-22(27-18)32-10-8-31(4)9-11-32)30-23-25-13-17(34-23)20(33)28-19-15(3)6-5-7-16(19)24;1-13-4-3-5-15(23)17(13)25-19(32)16-12-24-22(33-16)29-20-26-18(14-6-7-14)27-21(28-20)31-10-8-30(2)9-11-31;1-3-17-26-20(25-14-9-5-4-6-10-14)29-21(27-17)30-22-24-12-16(32-22)19(31)28-18-13(2)8-7-11-15(18)23;2*1-4-16-24-19(27-20(25-16)30-10-8-29(3)9-11-30)28-21-23-12-15(32-21)18(31)26-17-13(2)6-5-7-14(17)22;1-5-13-21-16(24-17(22-13)26(3)4)25-18-20-9-12(28-18)15(27)23-14-10(2)7-6-8-11(14)19/h5-7,13-14H,8-12H2,1-4H3,(H,28,33)(H,25,26,27,29,30);3-5,12,14H,6-11H2,1-2H3,(H,25,32)(H,24,26,27,28,29);4-12H,3H2,1-2H3,(H,28,31)(H2,24,25,26,27,29,30);4-7,12H,1,8-11H2,2-3H3,(H,26,31)(H,23,24,25,27,28);1,5-7,12H,8-11H2,2-3H3,(H,26,31)(H,23,24,25,27,28);6-9H,5H2,1-4H3,(H,23,27)(H,20,21,22,24,25)
• InChIKey: IITROIFZCNVRPG-UHFFFAOYSA-N
• XLogP: 21.55
• TPSA: 676.17 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 52
• Rotatable Bonds: 37
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2713.53
LogP ≤ 5	21.55
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-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-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide?

The IUPAC name of 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-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-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide (CID 158711413) is 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-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-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-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-chloro-6-methylphenyl)-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-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-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide?

The canonical SMILES for 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-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-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide is C#Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(C)CC2)n1.C=Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ccccc2)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)o2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N(C)C)n1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCN(C)CC3)n2)o1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCN(C)CC3)n2)o1.

What is the InChIKey of 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-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-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide?

The InChIKey is IITROIFZCNVRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN8O2.C22H25ClN8O2.C22H20ClN7O2.C21H23ClN8O2.C21H21ClN8O2.C18H20ClN7O2/c1-14(2)12-18-26-21(29-22(27-18)32-10-8-31(4)9-11-32)30-23-25-13-17(34-23)20(33)28-19-15(3)6-5-7-16(19)24;1-13-4-3-5-15(23)17(13)25-19(32)16-12-24-22(33-16)29-20-26-18(14-6-7-14)27-21(28-20)31-10-8-30(2)9-11-31;1-3-17-26-20(25-14-9-5-4-6-10-14)29-21(27-17)30-22-24-12-16(32-22)19(31)28-18-13(2)8-7-11-15(18)23;2*1-4-16-24-19(27-20(25-16)30-10-8-29(3)9-11-30)28-21-23-12-15(32-21)18(31)26-17-13(2)6-5-7-14(17)22;1-5-13-21-16(24-17(22-13)26(3)4)25-18-20-9-12(28-18)15(27)23-14-10(2)7-6-8-11(14)19/h5-7,13-14H,8-12H2,1-4H3,(H,28,33)(H,25,26,27,29,30);3-5,12,14H,6-11H2,1-2H3,(H,25,32)(H,24,26,27,28,29);4-12H,3H2,1-2H3,(H,28,31)(H2,24,25,26,27,29,30);4-7,12H,1,8-11H2,2-3H3,(H,26,31)(H,23,24,25,27,28);1,5-7,12H,8-11H2,2-3H3,(H,26,31)(H,23,24,25,27,28);6-9H,5H2,1-4H3,(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-chloro-6-methylphenyl)-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-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-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide?

2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-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-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide has a molecular weight of 2713.53 g/mol, XLogP of 21.55, 37 rotatable bonds, 13 hydrogen bond donors, and 52 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-chloro-6-methylphenyl)-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-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-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 158711413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).