1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[2-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[3-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[3-(3-piperidin-1-ylpropoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]propan-2-one

C190H218Cl3F4N17O18 — CID 159872826

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[2-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[3-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[3-(3-piperidin-1-ylpropoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]propan-2-one
SMILESCC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(C(F)(F)F)c(OCCCN4CCCCC4)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(Cl)c(OCCCN4CCCCC4)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCCCC4)c(Cl)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCCCC4)cc3Cl)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCCCC4)cc3F)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3cn4ncc(OCCN5CCCCC5)cc4n3)cc2)no1
InChIInChI=1S/C33H37F3N2O3.3C32H37ClN2O3.C32H37FN2O3.C29H33N7O3/c1-32(2,3)31-23-27(37-41-31)22-28(39)20-25-11-8-24(9-12-25)10-13-26-14-15-29(33(34,35)36)30(21-26)40-19-7-18-38-16-5-4-6-17-38;1-32(2,3)31-23-27(34-38-31)22-28(36)20-25-11-8-24(9-12-25)10-13-26-14-15-30(29(33)21-26)37-19-7-18-35-16-5-4-6-17-35;1-32(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;2*1-32(2,3)31-22-27(34-38-31)21-28(36)20-25-10-8-24(9-11-25)12-13-26-14-15-29(23-30(26)33)37-19-7-18-35-16-5-4-6-17-35;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;2*8-9,11-12,14-15,21,23H,4-7,16-20,22H2,1-3H3;2*8-11,14-15,22-23H,4-7,16-21H2,1-3H3;7-8,10-11,17-20H,4-6,13-16H2,1-3H3,(H2,32,33,34,37)
InChIKeyNSNJEZPGXWOQLP-UHFFFAOYSA-N
MW3210.29 g/mol
LogP37.95
Rot. Bonds51

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[2-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[3-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[3-(3-piperidin-1-ylpropoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]propan-2-one

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[2-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[3-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[3-(3-piperidin-1-ylpropoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]propan-2-one (PubChem CID 159872826) has the molecular formula C190H218Cl3F4N17O18 and a molecular weight of 3210.29 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[2-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[3-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[3-(3-piperidin-1-ylpropoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[2-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[3-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[3-(3-piperidin-1-ylpropoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]propan-2-one
PubChem CID159872826
Molecular FormulaC190H218Cl3F4N17O18
Molecular Weight3210.29 g/mol
Exact Mass3206.57
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[2-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[3-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[3-(3-piperidin-1-ylpropoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]propan-2-one
SMILESCC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(C(F)(F)F)c(OCCCN4CCCCC4)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(Cl)c(OCCCN4CCCCC4)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCCCC4)c(Cl)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCCCC4)cc3Cl)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCCCC4)cc3F)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3cn4ncc(OCCN5CCCCC5)cc4n3)cc2)no1
InChIInChI=1S/C33H37F3N2O3.3C32H37ClN2O3.C32H37FN2O3.C29H33N7O3/c1-32(2,3)31-23-27(37-41-31)22-28(39)20-25-11-8-24(9-12-25)10-13-26-14-15-29(33(34,35)36)30(21-26)40-19-7-18-38-16-5-4-6-17-38;1-32(2,3)31-23-27(34-38-31)22-28(36)20-25-11-8-24(9-12-25)10-13-26-14-15-30(29(33)21-26)37-19-7-18-35-16-5-4-6-17-35;1-32(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;2*1-32(2,3)31-22-27(34-38-31)21-28(36)20-25-10-8-24(9-11-25)12-13-26-14-15-29(23-30(26)33)37-19-7-18-35-16-5-4-6-17-35;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;2*8-9,11-12,14-15,21,23H,4-7,16-20,22H2,1-3H3;2*8-11,14-15,22-23H,4-7,16-21H2,1-3H3;7-8,10-11,17-20H,4-6,13-16H2,1-3H3,(H2,32,33,34,37)
InChIKeyNSNJEZPGXWOQLP-UHFFFAOYSA-N
XLogP37.95
TPSA387.67 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds51
Heavy Atoms232
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003210.29
LogP ≤ 537.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[2-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[3-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[3-(3-piperidin-1-ylpropoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[2-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[3-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[3-(3-piperidin-1-ylpropoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]propan-2-one?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[2-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[3-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[3-(3-piperidin-1-ylpropoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]propan-2-one (CID 159872826) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[2-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[3-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[3-(3-piperidin-1-ylpropoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]propan-2-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[2-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[3-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[3-(3-piperidin-1-ylpropoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]propan-2-one?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[2-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[3-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[3-(3-piperidin-1-ylpropoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]propan-2-one is CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(C(F)(F)F)c(OCCCN4CCCCC4)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(Cl)c(OCCCN4CCCCC4)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCCCC4)c(Cl)c3)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCCCC4)cc3Cl)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3ccc(OCCCN4CCCCC4)cc3F)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-[2-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[3-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[3-(3-piperidin-1-ylpropoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]propan-2-one?
The InChIKey is NSNJEZPGXWOQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F3N2O3.3C32H37ClN2O3.C32H37FN2O3.C29H33N7O3/c1-32(2,3)31-23-27(37-41-31)22-28(39)20-25-11-8-24(9-12-25)10-13-26-14-15-29(33(34,35)36)30(21-26)40-19-7-18-38-16-5-4-6-17-38;1-32(2,3)31-23-27(34-38-31)22-28(36)20-25-11-8-24(9-12-25)10-13-26-14-15-30(29(33)21-26)37-19-7-18-35-16-5-4-6-17-35;1-32(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;2*1-32(2,3)31-22-27(34-38-31)21-28(36)20-25-10-8-24(9-11-25)12-13-26-14-15-29(23-30(26)33)37-19-7-18-35-16-5-4-6-17-35;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;2*8-9,11-12,14-15,21,23H,4-7,16-20,22H2,1-3H3;2*8-11,14-15,22-23H,4-7,16-21H2,1-3H3;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-[2-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[3-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[3-(3-piperidin-1-ylpropoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]propan-2-one?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[2-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[3-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[3-(3-piperidin-1-ylpropoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]propan-2-one has a molecular weight of 3210.29 g/mol, XLogP of 37.95, 51 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-[4-[2-[2-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[3-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]ethynyl]phenyl]propan-2-one;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-[3-(3-piperidin-1-ylpropoxy)-4-(trifluoromethyl)phenyl]ethynyl]phenyl]propan-2-one is sourced from PubChem (CID 159872826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).