4-[3-[3-[4-[3-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole

C79H70F5N11O — CID 126495171

IUPAC4-[3-[3-[4-[3-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole
SMILESFc1cccc(-c2nc(CN3CCN(c4cccc(F)c4)CC3)[nH]c2-c2cc(F)cc(-c3cccc(-c4nc(CN5CCN(c6cccc(F)c6)CC5)[nH]c4-c4cccc(-c5cccc(-c6nc(CN7CCN(Cc8ccccc8F)CC7)oc6-c6ccccc6)c5)c4)c3)c2)c1
InChIInChI=1S/C79H70F5N11O/c80-64-22-9-21-60(44-64)76-77(88-72(87-76)51-92-34-38-95(39-35-92)69-26-11-24-66(82)48-69)63-43-62(45-67(83)46-63)56-17-8-19-58(42-56)75-74(85-71(86-75)50-91-32-36-94(37-33-91)68-25-10-23-65(81)47-68)57-18-6-15-54(40-57)55-16-7-20-59(41-55)78-79(53-12-2-1-3-13-53)96-73(89-78)52-93-30-28-90(29-31-93)49-61-14-4-5-27-70(61)84/h1-27,40-48H,28-39,49-52H2,(H,85,86)(H,87,88)
InChIKeyUCJLNRUNCNHTGJ-UHFFFAOYSA-N
MW1284.50 g/mol
LogP16.11
Rot. Bonds18

About 4-[3-[3-[4-[3-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole

4-[3-[3-[4-[3-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole (PubChem CID 126495171) has the molecular formula C79H70F5N11O and a molecular weight of 1284.50 g/mol. Its IUPAC name is 4-[3-[3-[4-[3-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[3-[3-[4-[3-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole
PubChem CID126495171
Molecular FormulaC79H70F5N11O
Molecular Weight1284.50 g/mol
Exact Mass1283.57
IUPAC Name4-[3-[3-[4-[3-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole
SMILESFc1cccc(-c2nc(CN3CCN(c4cccc(F)c4)CC3)[nH]c2-c2cc(F)cc(-c3cccc(-c4nc(CN5CCN(c6cccc(F)c6)CC5)[nH]c4-c4cccc(-c5cccc(-c6nc(CN7CCN(Cc8ccccc8F)CC7)oc6-c6ccccc6)c5)c4)c3)c2)c1
InChIInChI=1S/C79H70F5N11O/c80-64-22-9-21-60(44-64)76-77(88-72(87-76)51-92-34-38-95(39-35-92)69-26-11-24-66(82)48-69)63-43-62(45-67(83)46-63)56-17-8-19-58(42-56)75-74(85-71(86-75)50-91-32-36-94(37-33-91)68-25-10-23-65(81)47-68)57-18-6-15-54(40-57)55-16-7-20-59(41-55)78-79(53-12-2-1-3-13-53)96-73(89-78)52-93-30-28-90(29-31-93)49-61-14-4-5-27-70(61)84/h1-27,40-48H,28-39,49-52H2,(H,85,86)(H,87,88)
InChIKeyUCJLNRUNCNHTGJ-UHFFFAOYSA-N
XLogP16.11
TPSA102.83 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001284.50
LogP ≤ 516.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[3-[3-[4-[3-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[4-[3-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 4-[3-[3-[4-[3-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole (CID 126495171) is 4-[3-[3-[4-[3-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[3-[3-[4-[3-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 4-[3-[3-[4-[3-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole is Fc1cccc(-c2nc(CN3CCN(c4cccc(F)c4)CC3)[nH]c2-c2cc(F)cc(-c3cccc(-c4nc(CN5CCN(c6cccc(F)c6)CC5)[nH]c4-c4cccc(-c5cccc(-c6nc(CN7CCN(Cc8ccccc8F)CC7)oc6-c6ccccc6)c5)c4)c3)c2)c1.
What is the InChIKey of 4-[3-[3-[4-[3-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole?
The InChIKey is UCJLNRUNCNHTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H70F5N11O/c80-64-22-9-21-60(44-64)76-77(88-72(87-76)51-92-34-38-95(39-35-92)69-26-11-24-66(82)48-69)63-43-62(45-67(83)46-63)56-17-8-19-58(42-56)75-74(85-71(86-75)50-91-32-36-94(37-33-91)68-25-10-23-65(81)47-68)57-18-6-15-54(40-57)55-16-7-20-59(41-55)78-79(53-12-2-1-3-13-53)96-73(89-78)52-93-30-28-90(29-31-93)49-61-14-4-5-27-70(61)84/h1-27,40-48H,28-39,49-52H2,(H,85,86)(H,87,88).
What are the key properties of 4-[3-[3-[4-[3-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole?
4-[3-[3-[4-[3-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole has a molecular weight of 1284.50 g/mol, XLogP of 16.11, 18 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[4-[3-[3-fluoro-5-[4-(3-fluorophenyl)-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 126495171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).