methyl 5-(2-ethyl-1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidine-4-carboxylate

C14H15NO6 — CID 139751050

IUPACmethyl 5-(2-ethyl-1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCCC1Oc2ccc(C3OC(=O)NC3C(=O)OC)cc2O1
InChIInChI=1S/C14H15NO6/c1-3-10-19-8-5-4-7(6-9(8)20-10)12-11(13(16)18-2)15-14(17)21-12/h4-6,10-12H,3H2,1-2H3,(H,15,17)
InChIKeyJSUKWRDNFSMQLZ-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.52
Rot. Bonds3

About methyl 5-(2-ethyl-1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidine-4-carboxylate

methyl 5-(2-ethyl-1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 139751050) has the molecular formula C14H15NO6 and a molecular weight of 293.28 g/mol. Its IUPAC name is methyl 5-(2-ethyl-1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-ethyl-1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID139751050
Molecular FormulaC14H15NO6
Molecular Weight293.28 g/mol
Exact Mass293.09
IUPAC Namemethyl 5-(2-ethyl-1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCCC1Oc2ccc(C3OC(=O)NC3C(=O)OC)cc2O1
InChIInChI=1S/C14H15NO6/c1-3-10-19-8-5-4-7(6-9(8)20-10)12-11(13(16)18-2)15-14(17)21-12/h4-6,10-12H,3H2,1-2H3,(H,15,17)
InChIKeyJSUKWRDNFSMQLZ-UHFFFAOYSA-N
XLogP1.52
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-ethyl-1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 5-(2-ethyl-1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidine-4-carboxylate (CID 139751050) is methyl 5-(2-ethyl-1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 5-(2-ethyl-1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 5-(2-ethyl-1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidine-4-carboxylate is CCC1Oc2ccc(C3OC(=O)NC3C(=O)OC)cc2O1.
What is the InChIKey of methyl 5-(2-ethyl-1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is JSUKWRDNFSMQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO6/c1-3-10-19-8-5-4-7(6-9(8)20-10)12-11(13(16)18-2)15-14(17)21-12/h4-6,10-12H,3H2,1-2H3,(H,15,17).
What are the key properties of methyl 5-(2-ethyl-1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl 5-(2-ethyl-1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 293.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-ethyl-1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 139751050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).