About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-chloro-3-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]urea
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-chloro-3-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]urea (PubChem CID 161144738) has the molecular formula C213H246ClN37O21
and a molecular weight of 3696.00 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-chloro-3-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]urea.
Frequently Asked Questions
What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-chloro-3-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-chloro-3-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]urea (CID 161144738) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-chloro-3-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-chloro-3-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-chloro-3-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]urea is CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(Cl)c(OCCCN4CCCCC4)c3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3ccc(OCCCN4CCCCC4)cc3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3cn4cc(OCCCN5CCCCC5)ccc4n3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3cn4cc(OCCN5CCCCC5)ccc4n3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3cn4ccc(OCCCN5CCCCC5)cc4n3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3cn4ccc(OCCN5CCCCC5)cc4n3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3cn4ncc(OCCN5CCCCC5)cc4n3)cc2)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-chloro-3-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]urea?
The InChIKey is UNXAHZSZVUNZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37ClN2O3.2C31H36N6O3.2C30H34N6O3.C30H36N4O3.C29H33N7O3/c1-32(2,3)31-23-27(34-38-31)22-28(36)20-25-11-8-24(9-12-25)10-13-26-14-15-29(33)30(21-26)37-19-7-18-35-16-5-4-6-17-35;1-31(2,3)27-20-28(35-40-27)34-30(38)33-24-11-8-23(9-12-24)10-13-25-21-37-22-26(14-15-29(37)32-25)39-19-7-18-36-16-5-4-6-17-36;1-31(2,3)27-21-28(35-40-27)34-30(38)33-24-11-8-23(9-12-24)10-13-25-22-37-18-14-26(20-29(37)32-25)39-19-7-17-36-15-5-4-6-16-36;1-30(2,3)26-19-27(34-39-26)33-29(37)32-23-10-7-22(8-11-23)9-12-24-20-36-21-25(13-14-28(36)31-24)38-18-17-35-15-5-4-6-16-35;1-30(2,3)26-20-27(34-39-26)33-29(37)32-23-10-7-22(8-11-23)9-12-24-21-36-16-13-25(19-28(36)31-24)38-18-17-35-14-5-4-6-15-35;1-30(2,3)27-22-28(33-37-27)32-29(35)31-25-14-10-23(11-15-25)8-9-24-12-16-26(17-13-24)36-21-7-20-34-18-5-4-6-19-34;1-29(2,3)25-18-26(34-39-25)33-28(37)32-22-10-7-21(8-11-22)9-12-23-20-36-27(31-23)17-24(19-30-36)38-16-15-35-13-5-4-6-14-35/h8-9,11-12,14-15,21,23H,4-7,16-20,22H2,1-3H3;8-9,11-12,14-15,20-22H,4-7,16-19H2,1-3H3,(H2,33,34,35,38);8-9,11-12,14,18,20-22H,4-7,15-17,19H2,1-3H3,(H2,33,34,35,38);7-8,10-11,13-14,19-21H,4-6,15-18H2,1-3H3,(H2,32,33,34,37);7-8,10-11,13,16,19-21H,4-6,14-15,17-18H2,1-3H3,(H2,32,33,34,37);10-17,22H,4-7,18-21H2,1-3H3,(H2,31,32,33,35);7-8,10-11,17-20H,4-6,13-16H2,1-3H3,(H2,32,33,34,37).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-chloro-3-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-chloro-3-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]urea has a molecular weight of 3696.00 g/mol, XLogP of 40.72, 48 rotatable bonds, 12 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-chloro-3-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]urea is sourced from PubChem (CID 161144738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).