1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one

C149H176N20O15 — CID 158562502

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one (PubChem CID 158562502) has the molecular formula C149H176N20O15 and a molecular weight of 2487.17 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one.

Molecular Properties

• Compound Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one
• PubChem CID: 158562502
• Molecular Formula: C149H176N20O15
• Molecular Weight: 2487.17 g/mol
• Exact Mass: 2485.36
• IUPAC Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one
• SMILES: CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCCCC4)cc3)nc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCN4CCCCC4)cc3)nc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3cnc4ccc(OCCN5CCCCC5)nn34)cc2)no1.CCCN(C)CCOc1ccc(C#Cc2ccc(CC(=O)Cc3cc(C(C)(C)C)on3)cn2)cc1.CN1CCN(CCOc2ccc(C#Cc3ccc(CC(=O)Cc4cc(C(C)(C)C)on4)cn3)cc2)CC1
• InChI: InChI=1S/C31H37N3O3.C30H36N4O3.C30H35N3O3.C29H33N7O3.C29H35N3O3/c1-31(2,3)30-22-27(33-37-30)21-28(35)20-25-9-13-26(32-23-25)12-8-24-10-14-29(15-11-24)36-19-7-18-34-16-5-4-6-17-34;1-30(2,3)29-21-26(32-37-29)20-27(35)19-24-6-10-25(31-22-24)9-5-23-7-11-28(12-8-23)36-18-17-34-15-13-33(4)14-16-34;1-30(2,3)29-21-26(32-36-29)20-27(34)19-24-8-12-25(31-22-24)11-7-23-9-13-28(14-10-23)35-18-17-33-15-5-4-6-16-33;1-29(2,3)24-19-25(34-39-24)32-28(37)31-22-10-7-21(8-11-22)9-12-23-20-30-26-13-14-27(33-36(23)26)38-18-17-35-15-5-4-6-16-35;1-6-15-32(5)16-17-34-27-13-9-22(10-14-27)7-11-24-12-8-23(21-30-24)18-26(33)19-25-20-28(35-31-25)29(2,3)4/h9-11,13-15,22-23H,4-7,16-21H2,1-3H3;6-8,10-12,21-22H,13-20H2,1-4H3;8-10,12-14,21-22H,4-6,15-20H2,1-3H3;7-8,10-11,13-14,19-20H,4-6,15-18H2,1-3H3,(H2,31,32,34,37);8-10,12-14,20-21H,6,15-19H2,1-5H3
• InChIKey: HRBFQAGEQMVLGI-UHFFFAOYSA-N
• XLogP: 23.87
• TPSA: 386.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 41
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2487.17
LogP ≤ 5	23.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one?

The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one (CID 158562502) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one.

What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one?

The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one is CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCCCC4)cc3)nc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCN4CCCCC4)cc3)nc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3cnc4ccc(OCCN5CCCCC5)nn34)cc2)no1.CCCN(C)CCOc1ccc(C#Cc2ccc(CC(=O)Cc3cc(C(C)(C)C)on3)cn2)cc1.CN1CCN(CCOc2ccc(C#Cc3ccc(CC(=O)Cc4cc(C(C)(C)C)on4)cn3)cc2)CC1.

What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one?

The InChIKey is HRBFQAGEQMVLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O3.C30H36N4O3.C30H35N3O3.C29H33N7O3.C29H35N3O3/c1-31(2,3)30-22-27(33-37-30)21-28(35)20-25-9-13-26(32-23-25)12-8-24-10-14-29(15-11-24)36-19-7-18-34-16-5-4-6-17-34;1-30(2,3)29-21-26(32-37-29)20-27(35)19-24-6-10-25(31-22-24)9-5-23-7-11-28(12-8-23)36-18-17-34-15-13-33(4)14-16-34;1-30(2,3)29-21-26(32-36-29)20-27(34)19-24-8-12-25(31-22-24)11-7-23-9-13-28(14-10-23)35-18-17-33-15-5-4-6-16-33;1-29(2,3)24-19-25(34-39-24)32-28(37)31-22-10-7-21(8-11-22)9-12-23-20-30-26-13-14-27(33-36(23)26)38-18-17-35-15-5-4-6-16-35;1-6-15-32(5)16-17-34-27-13-9-22(10-14-27)7-11-24-12-8-23(21-30-24)18-26(33)19-25-20-28(35-31-25)29(2,3)4/h9-11,13-15,22-23H,4-7,16-21H2,1-3H3;6-8,10-12,21-22H,13-20H2,1-4H3;8-10,12-14,21-22H,4-6,15-20H2,1-3H3;7-8,10-11,13-14,19-20H,4-6,15-18H2,1-3H3,(H2,31,32,34,37);8-10,12-14,20-21H,6,15-19H2,1-5H3.

What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one?

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one has a molecular weight of 2487.17 g/mol, XLogP of 23.87, 41 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[6-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]-3-pyridinyl]propan-2-one is sourced from PubChem (CID 158562502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).