3-methyl-5-[[4-[1-[4-[[3-[3-[(3-methylphenyl)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-3-oxo-2H-isoindol-1-yl]phenoxy]methyl]-1,3-oxazolidin-2-one

C43H39N3O7 — CID 146519368

IUPAC3-methyl-5-[[4-[1-[4-[[3-[3-[(3-methylphenyl)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-3-oxo-2H-isoindol-1-yl]phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCc1cccc(Cc2cccc(N3CC(COc4ccc(C5(c6ccc(OCC7CN(C)C(=O)O7)cc6)NC(=O)c6ccccc65)cc4)OC3=O)c2)c1
InChIInChI=1S/C43H39N3O7/c1-28-7-5-8-29(21-28)22-30-9-6-10-33(23-30)46-25-37(53-42(46)49)27-51-35-19-15-32(16-20-35)43(39-12-4-3-11-38(39)40(47)44-43)31-13-17-34(18-14-31)50-26-36-24-45(2)41(48)52-36/h3-21,23,36-37H,22,24-27H2,1-2H3,(H,44,47)
InChIKeyZWIQYQZYWICWBK-UHFFFAOYSA-N
MW709.80 g/mol
LogP6.85
Rot. Bonds11

About 3-methyl-5-[[4-[1-[4-[[3-[3-[(3-methylphenyl)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-3-oxo-2H-isoindol-1-yl]phenoxy]methyl]-1,3-oxazolidin-2-one

3-methyl-5-[[4-[1-[4-[[3-[3-[(3-methylphenyl)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-3-oxo-2H-isoindol-1-yl]phenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 146519368) has the molecular formula C43H39N3O7 and a molecular weight of 709.80 g/mol. Its IUPAC name is 3-methyl-5-[[4-[1-[4-[[3-[3-[(3-methylphenyl)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-3-oxo-2H-isoindol-1-yl]phenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-methyl-5-[[4-[1-[4-[[3-[3-[(3-methylphenyl)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-3-oxo-2H-isoindol-1-yl]phenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID146519368
Molecular FormulaC43H39N3O7
Molecular Weight709.80 g/mol
Exact Mass709.28
IUPAC Name3-methyl-5-[[4-[1-[4-[[3-[3-[(3-methylphenyl)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-3-oxo-2H-isoindol-1-yl]phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCc1cccc(Cc2cccc(N3CC(COc4ccc(C5(c6ccc(OCC7CN(C)C(=O)O7)cc6)NC(=O)c6ccccc65)cc4)OC3=O)c2)c1
InChIInChI=1S/C43H39N3O7/c1-28-7-5-8-29(21-28)22-30-9-6-10-33(23-30)46-25-37(53-42(46)49)27-51-35-19-15-32(16-20-35)43(39-12-4-3-11-38(39)40(47)44-43)31-13-17-34(18-14-31)50-26-36-24-45(2)41(48)52-36/h3-21,23,36-37H,22,24-27H2,1-2H3,(H,44,47)
InChIKeyZWIQYQZYWICWBK-UHFFFAOYSA-N
XLogP6.85
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.80
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-5-[[4-[1-[4-[[3-[3-[(3-methylphenyl)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-3-oxo-2H-isoindol-1-yl]phenoxy]methyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[4-[1-[4-[[3-[3-[(3-methylphenyl)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-3-oxo-2H-isoindol-1-yl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-methyl-5-[[4-[1-[4-[[3-[3-[(3-methylphenyl)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-3-oxo-2H-isoindol-1-yl]phenoxy]methyl]-1,3-oxazolidin-2-one (CID 146519368) is 3-methyl-5-[[4-[1-[4-[[3-[3-[(3-methylphenyl)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-3-oxo-2H-isoindol-1-yl]phenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-methyl-5-[[4-[1-[4-[[3-[3-[(3-methylphenyl)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-3-oxo-2H-isoindol-1-yl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-methyl-5-[[4-[1-[4-[[3-[3-[(3-methylphenyl)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-3-oxo-2H-isoindol-1-yl]phenoxy]methyl]-1,3-oxazolidin-2-one is Cc1cccc(Cc2cccc(N3CC(COc4ccc(C5(c6ccc(OCC7CN(C)C(=O)O7)cc6)NC(=O)c6ccccc65)cc4)OC3=O)c2)c1.
What is the InChIKey of 3-methyl-5-[[4-[1-[4-[[3-[3-[(3-methylphenyl)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-3-oxo-2H-isoindol-1-yl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is ZWIQYQZYWICWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39N3O7/c1-28-7-5-8-29(21-28)22-30-9-6-10-33(23-30)46-25-37(53-42(46)49)27-51-35-19-15-32(16-20-35)43(39-12-4-3-11-38(39)40(47)44-43)31-13-17-34(18-14-31)50-26-36-24-45(2)41(48)52-36/h3-21,23,36-37H,22,24-27H2,1-2H3,(H,44,47).
What are the key properties of 3-methyl-5-[[4-[1-[4-[[3-[3-[(3-methylphenyl)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-3-oxo-2H-isoindol-1-yl]phenoxy]methyl]-1,3-oxazolidin-2-one?
3-methyl-5-[[4-[1-[4-[[3-[3-[(3-methylphenyl)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-3-oxo-2H-isoindol-1-yl]phenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 709.80 g/mol, XLogP of 6.85, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[4-[1-[4-[[3-[3-[(3-methylphenyl)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-3-oxo-2H-isoindol-1-yl]phenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 146519368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).