2-[[4-[6-[4-[4-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]quinolin-2-yl]-2-[4-[4-[(4-propan-2-yl-1,3-oxazol-2-yl)methyl]cyclohexyl]quinolin-6-yl]quinolin-4-yl]cyclohexyl]methyl]-4-propan-2-yl-1,3-oxazole

C67H76N6O3 — CID 139302473

IUPAC2-[[4-[6-[4-[4-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]quinolin-2-yl]-2-[4-[4-[(4-propan-2-yl-1,3-oxazol-2-yl)methyl]cyclohexyl]quinolin-6-yl]quinolin-4-yl]cyclohexyl]methyl]-4-propan-2-yl-1,3-oxazole
SMILESCC(C)Cc1coc(CC2CCC(c3cc(-c4ccc5nc(-c6ccc7nccc(C8CCC(Cc9nc(C(C)C)co9)CC8)c7c6)cc(C6CCC(Cc7nc(C(C)C)co7)CC6)c5c4)nc4ccccc34)CC2)n1
InChIInChI=1S/C67H76N6O3/c1-40(2)29-51-37-74-65(69-51)30-43-13-19-47(20-14-43)54-35-61(70-59-10-8-7-9-53(54)59)50-24-26-60-57(34-50)55(48-21-15-45(16-22-48)32-67-73-64(39-76-67)42(5)6)36-62(71-60)49-23-25-58-56(33-49)52(27-28-68-58)46-17-11-44(12-18-46)31-66-72-63(38-75-66)41(3)4/h7-10,23-28,33-48H,11-22,29-32H2,1-6H3
InChIKeyPHWBVEPOBUEBMW-UHFFFAOYSA-N
MW1013.38 g/mol
LogP17.62
Rot. Bonds15

About 2-[[4-[6-[4-[4-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]quinolin-2-yl]-2-[4-[4-[(4-propan-2-yl-1,3-oxazol-2-yl)methyl]cyclohexyl]quinolin-6-yl]quinolin-4-yl]cyclohexyl]methyl]-4-propan-2-yl-1,3-oxazole

2-[[4-[6-[4-[4-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]quinolin-2-yl]-2-[4-[4-[(4-propan-2-yl-1,3-oxazol-2-yl)methyl]cyclohexyl]quinolin-6-yl]quinolin-4-yl]cyclohexyl]methyl]-4-propan-2-yl-1,3-oxazole (PubChem CID 139302473) has the molecular formula C67H76N6O3 and a molecular weight of 1013.38 g/mol. Its IUPAC name is 2-[[4-[6-[4-[4-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]quinolin-2-yl]-2-[4-[4-[(4-propan-2-yl-1,3-oxazol-2-yl)methyl]cyclohexyl]quinolin-6-yl]quinolin-4-yl]cyclohexyl]methyl]-4-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-[6-[4-[4-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]quinolin-2-yl]-2-[4-[4-[(4-propan-2-yl-1,3-oxazol-2-yl)methyl]cyclohexyl]quinolin-6-yl]quinolin-4-yl]cyclohexyl]methyl]-4-propan-2-yl-1,3-oxazole
PubChem CID139302473
Molecular FormulaC67H76N6O3
Molecular Weight1013.38 g/mol
Exact Mass1012.60
IUPAC Name2-[[4-[6-[4-[4-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]quinolin-2-yl]-2-[4-[4-[(4-propan-2-yl-1,3-oxazol-2-yl)methyl]cyclohexyl]quinolin-6-yl]quinolin-4-yl]cyclohexyl]methyl]-4-propan-2-yl-1,3-oxazole
SMILESCC(C)Cc1coc(CC2CCC(c3cc(-c4ccc5nc(-c6ccc7nccc(C8CCC(Cc9nc(C(C)C)co9)CC8)c7c6)cc(C6CCC(Cc7nc(C(C)C)co7)CC6)c5c4)nc4ccccc34)CC2)n1
InChIInChI=1S/C67H76N6O3/c1-40(2)29-51-37-74-65(69-51)30-43-13-19-47(20-14-43)54-35-61(70-59-10-8-7-9-53(54)59)50-24-26-60-57(34-50)55(48-21-15-45(16-22-48)32-67-73-64(39-76-67)42(5)6)36-62(71-60)49-23-25-58-56(33-49)52(27-28-68-58)46-17-11-44(12-18-46)31-66-72-63(38-75-66)41(3)4/h7-10,23-28,33-48H,11-22,29-32H2,1-6H3
InChIKeyPHWBVEPOBUEBMW-UHFFFAOYSA-N
XLogP17.62
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.38
LogP ≤ 517.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[4-[6-[4-[4-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]quinolin-2-yl]-2-[4-[4-[(4-propan-2-yl-1,3-oxazol-2-yl)methyl]cyclohexyl]quinolin-6-yl]quinolin-4-yl]cyclohexyl]methyl]-4-propan-2-yl-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-[4-[4-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]quinolin-2-yl]-2-[4-[4-[(4-propan-2-yl-1,3-oxazol-2-yl)methyl]cyclohexyl]quinolin-6-yl]quinolin-4-yl]cyclohexyl]methyl]-4-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-[[4-[6-[4-[4-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]quinolin-2-yl]-2-[4-[4-[(4-propan-2-yl-1,3-oxazol-2-yl)methyl]cyclohexyl]quinolin-6-yl]quinolin-4-yl]cyclohexyl]methyl]-4-propan-2-yl-1,3-oxazole (CID 139302473) is 2-[[4-[6-[4-[4-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]quinolin-2-yl]-2-[4-[4-[(4-propan-2-yl-1,3-oxazol-2-yl)methyl]cyclohexyl]quinolin-6-yl]quinolin-4-yl]cyclohexyl]methyl]-4-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-[[4-[6-[4-[4-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]quinolin-2-yl]-2-[4-[4-[(4-propan-2-yl-1,3-oxazol-2-yl)methyl]cyclohexyl]quinolin-6-yl]quinolin-4-yl]cyclohexyl]methyl]-4-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-[[4-[6-[4-[4-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]quinolin-2-yl]-2-[4-[4-[(4-propan-2-yl-1,3-oxazol-2-yl)methyl]cyclohexyl]quinolin-6-yl]quinolin-4-yl]cyclohexyl]methyl]-4-propan-2-yl-1,3-oxazole is CC(C)Cc1coc(CC2CCC(c3cc(-c4ccc5nc(-c6ccc7nccc(C8CCC(Cc9nc(C(C)C)co9)CC8)c7c6)cc(C6CCC(Cc7nc(C(C)C)co7)CC6)c5c4)nc4ccccc34)CC2)n1.
What is the InChIKey of 2-[[4-[6-[4-[4-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]quinolin-2-yl]-2-[4-[4-[(4-propan-2-yl-1,3-oxazol-2-yl)methyl]cyclohexyl]quinolin-6-yl]quinolin-4-yl]cyclohexyl]methyl]-4-propan-2-yl-1,3-oxazole?
The InChIKey is PHWBVEPOBUEBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H76N6O3/c1-40(2)29-51-37-74-65(69-51)30-43-13-19-47(20-14-43)54-35-61(70-59-10-8-7-9-53(54)59)50-24-26-60-57(34-50)55(48-21-15-45(16-22-48)32-67-73-64(39-76-67)42(5)6)36-62(71-60)49-23-25-58-56(33-49)52(27-28-68-58)46-17-11-44(12-18-46)31-66-72-63(38-75-66)41(3)4/h7-10,23-28,33-48H,11-22,29-32H2,1-6H3.
What are the key properties of 2-[[4-[6-[4-[4-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]quinolin-2-yl]-2-[4-[4-[(4-propan-2-yl-1,3-oxazol-2-yl)methyl]cyclohexyl]quinolin-6-yl]quinolin-4-yl]cyclohexyl]methyl]-4-propan-2-yl-1,3-oxazole?
2-[[4-[6-[4-[4-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]quinolin-2-yl]-2-[4-[4-[(4-propan-2-yl-1,3-oxazol-2-yl)methyl]cyclohexyl]quinolin-6-yl]quinolin-4-yl]cyclohexyl]methyl]-4-propan-2-yl-1,3-oxazole has a molecular weight of 1013.38 g/mol, XLogP of 17.62, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[6-[4-[4-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]quinolin-2-yl]-2-[4-[4-[(4-propan-2-yl-1,3-oxazol-2-yl)methyl]cyclohexyl]quinolin-6-yl]quinolin-4-yl]cyclohexyl]methyl]-4-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 139302473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).