methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]acetate

C20H18N2O5 — CID 15281528

IUPACmethyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC2CN(c3ccc(C#N)cc3)C(=O)O2)cc1
InChIInChI=1S/C20H18N2O5/c1-25-19(23)10-14-4-8-17(9-5-14)26-13-18-12-22(20(24)27-18)16-6-2-15(11-21)3-7-16/h2-9,18H,10,12-13H2,1H3
InChIKeyRJJARNBMLSDETN-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.68
Rot. Bonds6

About methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]acetate

methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]acetate (PubChem CID 15281528) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]acetate
PubChem CID15281528
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Namemethyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC2CN(c3ccc(C#N)cc3)C(=O)O2)cc1
InChIInChI=1S/C20H18N2O5/c1-25-19(23)10-14-4-8-17(9-5-14)26-13-18-12-22(20(24)27-18)16-6-2-15(11-21)3-7-16/h2-9,18H,10,12-13H2,1H3
InChIKeyRJJARNBMLSDETN-UHFFFAOYSA-N
XLogP2.68
TPSA88.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]acetate (CID 15281528) is methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]acetate is COC(=O)Cc1ccc(OCC2CN(c3ccc(C#N)cc3)C(=O)O2)cc1.
What is the InChIKey of methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]acetate?
The InChIKey is RJJARNBMLSDETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-25-19(23)10-14-4-8-17(9-5-14)26-13-18-12-22(20(24)27-18)16-6-2-15(11-21)3-7-16/h2-9,18H,10,12-13H2,1H3.
What are the key properties of methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]acetate?
methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]acetate has a molecular weight of 366.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]acetate is sourced from PubChem (CID 15281528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).