[3-benzyl-4-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl] acetate

C19H17NO6 — CID 102437900

IUPAC[3-benzyl-4-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl] acetate
SMILESCOc1ccc(C2(OC(C)=O)C(=O)OC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C19H17NO6/c1-13(21)26-19(15-8-10-16(24-2)11-9-15)17(22)25-18(23)20(19)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyGTMDLDKRKAIVMO-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.59
Rot. Bonds5

About [3-benzyl-4-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl] acetate

[3-benzyl-4-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl] acetate (PubChem CID 102437900) has the molecular formula C19H17NO6 and a molecular weight of 355.35 g/mol. Its IUPAC name is [3-benzyl-4-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl] acetate.

Molecular Properties

Compound Name[3-benzyl-4-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl] acetate
PubChem CID102437900
Molecular FormulaC19H17NO6
Molecular Weight355.35 g/mol
Exact Mass355.11
IUPAC Name[3-benzyl-4-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl] acetate
SMILESCOc1ccc(C2(OC(C)=O)C(=O)OC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C19H17NO6/c1-13(21)26-19(15-8-10-16(24-2)11-9-15)17(22)25-18(23)20(19)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyGTMDLDKRKAIVMO-UHFFFAOYSA-N
XLogP2.59
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-benzyl-4-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl] acetate?
The IUPAC name of [3-benzyl-4-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl] acetate (CID 102437900) is [3-benzyl-4-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl] acetate.
What is the SMILES notation for [3-benzyl-4-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl] acetate?
The canonical SMILES for [3-benzyl-4-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl] acetate is COc1ccc(C2(OC(C)=O)C(=O)OC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of [3-benzyl-4-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl] acetate?
The InChIKey is GTMDLDKRKAIVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6/c1-13(21)26-19(15-8-10-16(24-2)11-9-15)17(22)25-18(23)20(19)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of [3-benzyl-4-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl] acetate?
[3-benzyl-4-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl] acetate has a molecular weight of 355.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzyl-4-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl] acetate is sourced from PubChem (CID 102437900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).