2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-morpholin-4-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[3-(2-piperidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea

C152H172ClF4N21O16 — CID 161077215

About 2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-morpholin-4-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[3-(2-piperidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea

2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-morpholin-4-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[3-(2-piperidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea (PubChem CID 161077215) has the molecular formula C152H172ClF4N21O16 and a molecular weight of 2660.62 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-morpholin-4-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[3-(2-piperidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea.

Molecular Properties

• Compound Name: 2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-morpholin-4-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[3-(2-piperidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea
• PubChem CID: 161077215
• Molecular Formula: C152H172ClF4N21O16
• Molecular Weight: 2660.62 g/mol
• Exact Mass: 2658.29
• IUPAC Name: 2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-morpholin-4-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[3-(2-piperidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea
• SMILES: CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3cnc4cc(OCCCN5CCOCC5)cnn34)cc2)no1.CC(C)(C)c1cc(CC(=O)Nc2ccc(C#Cc3ccc(C(F)(F)F)c(OCCN4CCCCC4)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Nc2ccc(C#Cc3ccc(Cl)c(OCCN4CCCCC4)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Nc2ccc(C#Cc3ccc(F)c(OCCN4CCCCC4)c3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3cn4ncc(OCCCN5CCCCC5)cc4n3)cc2)no1
• InChI: InChI=1S/C31H34F3N3O3.C31H35N5O4.C30H34ClN3O3.C30H34FN3O3.C30H35N7O3/c1-30(2,3)28-20-25(36-40-28)21-29(38)35-24-12-9-22(10-13-24)7-8-23-11-14-26(31(32,33)34)27(19-23)39-18-17-37-15-5-4-6-16-37;1-31(2,3)29-19-25(34-40-29)18-27(37)17-24-7-5-23(6-8-24)9-10-26-21-32-30-20-28(22-33-36(26)30)39-14-4-11-35-12-15-38-16-13-35;2*1-30(2,3)28-20-25(33-37-28)21-29(35)32-24-12-9-22(10-13-24)7-8-23-11-14-26(31)27(19-23)36-18-17-34-15-5-4-6-16-34;1-30(2,3)26-19-27(35-40-26)34-29(38)33-23-11-8-22(9-12-23)10-13-24-21-37-28(32-24)18-25(20-31-37)39-17-7-16-36-14-5-4-6-15-36/h9-14,19-20H,4-6,15-18,21H2,1-3H3,(H,35,38);5-8,19-22H,4,11-18H2,1-3H3;2*9-14,19-20H,4-6,15-18,21H2,1-3H3,(H,32,35);8-9,11-12,18-21H,4-7,14-17H2,1-3H3,(H2,33,34,35,38)
• InChIKey: UFKXJCLNWRCHNA-UHFFFAOYSA-N
• XLogP: 27.25
• TPSA: 407.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 37
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2660.62
LogP ≤ 5	27.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

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 2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-morpholin-4-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[3-(2-piperidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea?

The IUPAC name of 2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-morpholin-4-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[3-(2-piperidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea (CID 161077215) is 2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-morpholin-4-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[3-(2-piperidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea.

What is the SMILES notation for 2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-morpholin-4-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[3-(2-piperidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea?

The canonical SMILES for 2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-morpholin-4-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[3-(2-piperidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea is CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3cnc4cc(OCCCN5CCOCC5)cnn34)cc2)no1.CC(C)(C)c1cc(CC(=O)Nc2ccc(C#Cc3ccc(C(F)(F)F)c(OCCN4CCCCC4)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Nc2ccc(C#Cc3ccc(Cl)c(OCCN4CCCCC4)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Nc2ccc(C#Cc3ccc(F)c(OCCN4CCCCC4)c3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3cn4ncc(OCCCN5CCCCC5)cc4n3)cc2)no1.

What is the InChIKey of 2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-morpholin-4-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[3-(2-piperidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea?

The InChIKey is UFKXJCLNWRCHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N3O3.C31H35N5O4.C30H34ClN3O3.C30H34FN3O3.C30H35N7O3/c1-30(2,3)28-20-25(36-40-28)21-29(38)35-24-12-9-22(10-13-24)7-8-23-11-14-26(31(32,33)34)27(19-23)39-18-17-37-15-5-4-6-16-37;1-31(2,3)29-19-25(34-40-29)18-27(37)17-24-7-5-23(6-8-24)9-10-26-21-32-30-20-28(22-33-36(26)30)39-14-4-11-35-12-15-38-16-13-35;2*1-30(2,3)28-20-25(33-37-28)21-29(35)32-24-12-9-22(10-13-24)7-8-23-11-14-26(31)27(19-23)36-18-17-34-15-5-4-6-16-34;1-30(2,3)26-19-27(35-40-26)34-29(38)33-23-11-8-22(9-12-23)10-13-24-21-37-28(32-24)18-25(20-31-37)39-17-7-16-36-14-5-4-6-15-36/h9-14,19-20H,4-6,15-18,21H2,1-3H3,(H,35,38);5-8,19-22H,4,11-18H2,1-3H3;2*9-14,19-20H,4-6,15-18,21H2,1-3H3,(H,32,35);8-9,11-12,18-21H,4-7,14-17H2,1-3H3,(H2,33,34,35,38).

What are the key properties of 2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-morpholin-4-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[3-(2-piperidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea?

2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-morpholin-4-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[3-(2-piperidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea has a molecular weight of 2660.62 g/mol, XLogP of 27.25, 37 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-morpholin-4-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]propan-2-one;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[3-(2-piperidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea is sourced from PubChem (CID 161077215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).