furan-2-yl-[4-[[4-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1,3-oxazol-4-yl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]methyl]piperazin-1-yl]methanone

C53H47F3N6O4 — CID 126495144

IUPACfuran-2-yl-[4-[[4-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1,3-oxazol-4-yl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(Cc2nc(-c3cccc(-c4cccc(-c5nc(CN6CCC(O)(c7cccc(C(F)(F)F)c7)CC6)oc5-c5ccccc5)c4)c3)c(-c3ccccc3)[nH]2)CC1
InChIInChI=1S/C53H47F3N6O4/c54-53(55,56)43-20-9-19-42(33-43)52(64)22-24-60(25-23-52)35-46-59-49(50(66-46)37-13-5-2-6-14-37)41-18-8-16-39(32-41)38-15-7-17-40(31-38)48-47(36-11-3-1-4-12-36)57-45(58-48)34-61-26-28-62(29-27-61)51(63)44-21-10-30-65-44/h1-21,30-33,64H,22-29,34-35H2,(H,57,58)
InChIKeyGZSLOHAIUWTBSK-UHFFFAOYSA-N
MW888.99 g/mol
LogP10.79
Rot. Bonds11

About furan-2-yl-[4-[[4-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1,3-oxazol-4-yl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[[4-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1,3-oxazol-4-yl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 126495144) has the molecular formula C53H47F3N6O4 and a molecular weight of 888.99 g/mol. Its IUPAC name is furan-2-yl-[4-[[4-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1,3-oxazol-4-yl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[[4-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1,3-oxazol-4-yl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID126495144
Molecular FormulaC53H47F3N6O4
Molecular Weight888.99 g/mol
Exact Mass888.36
IUPAC Namefuran-2-yl-[4-[[4-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1,3-oxazol-4-yl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(Cc2nc(-c3cccc(-c4cccc(-c5nc(CN6CCC(O)(c7cccc(C(F)(F)F)c7)CC6)oc5-c5ccccc5)c4)c3)c(-c3ccccc3)[nH]2)CC1
InChIInChI=1S/C53H47F3N6O4/c54-53(55,56)43-20-9-19-42(33-43)52(64)22-24-60(25-23-52)35-46-59-49(50(66-46)37-13-5-2-6-14-37)41-18-8-16-39(32-41)38-15-7-17-40(31-38)48-47(36-11-3-1-4-12-36)57-45(58-48)34-61-26-28-62(29-27-61)51(63)44-21-10-30-65-44/h1-21,30-33,64H,22-29,34-35H2,(H,57,58)
InChIKeyGZSLOHAIUWTBSK-UHFFFAOYSA-N
XLogP10.79
TPSA114.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.99
LogP ≤ 510.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze furan-2-yl-[4-[[4-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1,3-oxazol-4-yl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]methyl]piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[[4-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1,3-oxazol-4-yl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[[4-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1,3-oxazol-4-yl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]methyl]piperazin-1-yl]methanone (CID 126495144) is furan-2-yl-[4-[[4-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1,3-oxazol-4-yl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[[4-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1,3-oxazol-4-yl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[[4-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1,3-oxazol-4-yl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]methyl]piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(Cc2nc(-c3cccc(-c4cccc(-c5nc(CN6CCC(O)(c7cccc(C(F)(F)F)c7)CC6)oc5-c5ccccc5)c4)c3)c(-c3ccccc3)[nH]2)CC1.
What is the InChIKey of furan-2-yl-[4-[[4-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1,3-oxazol-4-yl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is GZSLOHAIUWTBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H47F3N6O4/c54-53(55,56)43-20-9-19-42(33-43)52(64)22-24-60(25-23-52)35-46-59-49(50(66-46)37-13-5-2-6-14-37)41-18-8-16-39(32-41)38-15-7-17-40(31-38)48-47(36-11-3-1-4-12-36)57-45(58-48)34-61-26-28-62(29-27-61)51(63)44-21-10-30-65-44/h1-21,30-33,64H,22-29,34-35H2,(H,57,58).
What are the key properties of furan-2-yl-[4-[[4-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1,3-oxazol-4-yl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[[4-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1,3-oxazol-4-yl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 888.99 g/mol, XLogP of 10.79, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[[4-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1,3-oxazol-4-yl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 126495144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).