(4R)-5-(2-methoxyphenyl)-2-[[(4R)-5-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide

C47H42Br2N2O6Pd — CID 173021263

IUPAC(4R)-5-(2-methoxyphenyl)-2-[[(4R)-5-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide
SMILESCOc1ccccc1-c1cccc([C@H]2N=C(CC3=N[C@H](c4cccc(-c5ccccc5OC)c4)C(c4ccccc4OC)O3)OC2c2ccccc2OC)c1.[Br-].[Br-].[Pd+2]
InChIInChI=1S/C47H42N2O6.2BrH.Pd/c1-50-38-23-9-5-19-34(38)30-15-13-17-32(27-30)44-46(36-21-7-11-25-40(36)52-3)54-42(48-44)29-43-49-45(47(55-43)37-22-8-12-26-41(37)53-4)33-18-14-16-31(28-33)35-20-6-10-24-39(35)51-2;;;/h5-28,44-47H,29H2,1-4H3;2*1H;/q;;;+2/p-2/t44-,45-,46?,47?;;;/m1.../s1
InChIKeyCFAIIPIYYKJCAF-WHWURUDASA-L
MW997.09 g/mol
LogP4.57
Rot. Bonds12

About (4R)-5-(2-methoxyphenyl)-2-[[(4R)-5-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide

(4R)-5-(2-methoxyphenyl)-2-[[(4R)-5-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide (PubChem CID 173021263) has the molecular formula C47H42Br2N2O6Pd and a molecular weight of 997.09 g/mol. Its IUPAC name is (4R)-5-(2-methoxyphenyl)-2-[[(4R)-5-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide.

Molecular Properties

Compound Name(4R)-5-(2-methoxyphenyl)-2-[[(4R)-5-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide
PubChem CID173021263
Molecular FormulaC47H42Br2N2O6Pd
Molecular Weight997.09 g/mol
Exact Mass994.04
IUPAC Name(4R)-5-(2-methoxyphenyl)-2-[[(4R)-5-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide
SMILESCOc1ccccc1-c1cccc([C@H]2N=C(CC3=N[C@H](c4cccc(-c5ccccc5OC)c4)C(c4ccccc4OC)O3)OC2c2ccccc2OC)c1.[Br-].[Br-].[Pd+2]
InChIInChI=1S/C47H42N2O6.2BrH.Pd/c1-50-38-23-9-5-19-34(38)30-15-13-17-32(27-30)44-46(36-21-7-11-25-40(36)52-3)54-42(48-44)29-43-49-45(47(55-43)37-22-8-12-26-41(37)53-4)33-18-14-16-31(28-33)35-20-6-10-24-39(35)51-2;;;/h5-28,44-47H,29H2,1-4H3;2*1H;/q;;;+2/p-2/t44-,45-,46?,47?;;;/m1.../s1
InChIKeyCFAIIPIYYKJCAF-WHWURUDASA-L
XLogP4.57
TPSA80.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500997.09
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4R)-5-(2-methoxyphenyl)-2-[[(4R)-5-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide with MolForge

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Related Compounds

(4R)-5-(3-methoxyphenyl)-2-[[(4R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide
CID 173021286
2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene
CID 174295636
N-[[3-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 54911742
1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
CID 175734991
4-(2-methoxyphenyl)-2-phenylthiophene
CID 102031786
N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911743
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
5-[3-(2-methoxyphenyl)phenyl]-2H-tetrazole;2-[3-(2H-tetrazol-5-yl)phenyl]phenol
CID 161184284
3-(2-methoxyphenyl)benzoic acid
CID 2759547
9-(2-methoxyphenyl)-9H-fluorene
CID 10492416
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyphenyl)phenyl]methanamine
CID 16672060
[(2R)-7-[3-(2-methoxyphenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95217944

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(2-methoxyphenyl)-2-[[(4R)-5-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide?
The IUPAC name of (4R)-5-(2-methoxyphenyl)-2-[[(4R)-5-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide (CID 173021263) is (4R)-5-(2-methoxyphenyl)-2-[[(4R)-5-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide.
What is the SMILES notation for (4R)-5-(2-methoxyphenyl)-2-[[(4R)-5-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide?
The canonical SMILES for (4R)-5-(2-methoxyphenyl)-2-[[(4R)-5-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide is COc1ccccc1-c1cccc([C@H]2N=C(CC3=N[C@H](c4cccc(-c5ccccc5OC)c4)C(c4ccccc4OC)O3)OC2c2ccccc2OC)c1.[Br-].[Br-].[Pd+2].
What is the InChIKey of (4R)-5-(2-methoxyphenyl)-2-[[(4R)-5-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide?
The InChIKey is CFAIIPIYYKJCAF-WHWURUDASA-L. The full InChI is InChI=1S/C47H42N2O6.2BrH.Pd/c1-50-38-23-9-5-19-34(38)30-15-13-17-32(27-30)44-46(36-21-7-11-25-40(36)52-3)54-42(48-44)29-43-49-45(47(55-43)37-22-8-12-26-41(37)53-4)33-18-14-16-31(28-33)35-20-6-10-24-39(35)51-2;;;/h5-28,44-47H,29H2,1-4H3;2*1H;/q;;;+2/p-2/t44-,45-,46?,47?;;;/m1.../s1.
What are the key properties of (4R)-5-(2-methoxyphenyl)-2-[[(4R)-5-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide?
(4R)-5-(2-methoxyphenyl)-2-[[(4R)-5-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide has a molecular weight of 997.09 g/mol, XLogP of 4.57, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(2-methoxyphenyl)-2-[[(4R)-5-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide is sourced from PubChem (CID 173021263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).