5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-3-[4-[[4-[5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]methyl]phenyl]-1,3-oxazolidin-2-one;penta-2,3-diene

C62H66N2O10 — CID 158508058

IUPAC5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-3-[4-[[4-[5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]methyl]phenyl]-1,3-oxazolidin-2-one;penta-2,3-diene
SMILESCC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CN(c3ccc(Cc4ccc(N5CC(COc6ccc(C(C)(C)c7ccc(OCC8CO8)cc7)cc6)OC5=O)cc4)cc3)C(=O)O2)cc1.CC=C=CC
InChIInChI=1S/C57H58N2O10.C5H8/c1-56(2,42-13-25-48(26-14-42)64-34-52-36-66-52)40-9-21-46(22-10-40)62-32-50-30-58(54(60)68-50)44-17-5-38(6-18-44)29-39-7-19-45(20-8-39)59-31-51(69-55(59)61)33-63-47-23-11-41(12-24-47)57(3,4)43-15-27-49(28-16-43)65-35-53-37-67-53;1-3-5-4-2/h5-28,50-53H,29-37H2,1-4H3;3-4H,1-2H3
InChIKeyHKRWPHXBOXBFHQ-UHFFFAOYSA-N
MW999.21 g/mol
LogP12.03
Rot. Bonds20

About 5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-3-[4-[[4-[5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]methyl]phenyl]-1,3-oxazolidin-2-one;penta-2,3-diene

5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-3-[4-[[4-[5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]methyl]phenyl]-1,3-oxazolidin-2-one;penta-2,3-diene (PubChem CID 158508058) has the molecular formula C62H66N2O10 and a molecular weight of 999.21 g/mol. Its IUPAC name is 5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-3-[4-[[4-[5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]methyl]phenyl]-1,3-oxazolidin-2-one;penta-2,3-diene.

Molecular Properties

Compound Name5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-3-[4-[[4-[5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]methyl]phenyl]-1,3-oxazolidin-2-one;penta-2,3-diene
PubChem CID158508058
Molecular FormulaC62H66N2O10
Molecular Weight999.21 g/mol
Exact Mass998.47
IUPAC Name5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-3-[4-[[4-[5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]methyl]phenyl]-1,3-oxazolidin-2-one;penta-2,3-diene
SMILESCC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CN(c3ccc(Cc4ccc(N5CC(COc6ccc(C(C)(C)c7ccc(OCC8CO8)cc7)cc6)OC5=O)cc4)cc3)C(=O)O2)cc1.CC=C=CC
InChIInChI=1S/C57H58N2O10.C5H8/c1-56(2,42-13-25-48(26-14-42)64-34-52-36-66-52)40-9-21-46(22-10-40)62-32-50-30-58(54(60)68-50)44-17-5-38(6-18-44)29-39-7-19-45(20-8-39)59-31-51(69-55(59)61)33-63-47-23-11-41(12-24-47)57(3,4)43-15-27-49(28-16-43)65-35-53-37-67-53;1-3-5-4-2/h5-28,50-53H,29-37H2,1-4H3;3-4H,1-2H3
InChIKeyHKRWPHXBOXBFHQ-UHFFFAOYSA-N
XLogP12.03
TPSA121.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.21
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-3-[4-[[4-[5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]methyl]phenyl]-1,3-oxazolidin-2-one;penta-2,3-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-3-[4-[[4-[5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]methyl]phenyl]-1,3-oxazolidin-2-one;penta-2,3-diene?
The IUPAC name of 5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-3-[4-[[4-[5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]methyl]phenyl]-1,3-oxazolidin-2-one;penta-2,3-diene (CID 158508058) is 5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-3-[4-[[4-[5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]methyl]phenyl]-1,3-oxazolidin-2-one;penta-2,3-diene.
What is the SMILES notation for 5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-3-[4-[[4-[5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]methyl]phenyl]-1,3-oxazolidin-2-one;penta-2,3-diene?
The canonical SMILES for 5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-3-[4-[[4-[5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]methyl]phenyl]-1,3-oxazolidin-2-one;penta-2,3-diene is CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CN(c3ccc(Cc4ccc(N5CC(COc6ccc(C(C)(C)c7ccc(OCC8CO8)cc7)cc6)OC5=O)cc4)cc3)C(=O)O2)cc1.CC=C=CC.
What is the InChIKey of 5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-3-[4-[[4-[5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]methyl]phenyl]-1,3-oxazolidin-2-one;penta-2,3-diene?
The InChIKey is HKRWPHXBOXBFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H58N2O10.C5H8/c1-56(2,42-13-25-48(26-14-42)64-34-52-36-66-52)40-9-21-46(22-10-40)62-32-50-30-58(54(60)68-50)44-17-5-38(6-18-44)29-39-7-19-45(20-8-39)59-31-51(69-55(59)61)33-63-47-23-11-41(12-24-47)57(3,4)43-15-27-49(28-16-43)65-35-53-37-67-53;1-3-5-4-2/h5-28,50-53H,29-37H2,1-4H3;3-4H,1-2H3.
What are the key properties of 5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-3-[4-[[4-[5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]methyl]phenyl]-1,3-oxazolidin-2-one;penta-2,3-diene?
5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-3-[4-[[4-[5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]methyl]phenyl]-1,3-oxazolidin-2-one;penta-2,3-diene has a molecular weight of 999.21 g/mol, XLogP of 12.03, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-3-[4-[[4-[5-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]methyl]phenyl]-1,3-oxazolidin-2-one;penta-2,3-diene is sourced from PubChem (CID 158508058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).