methyl 2-(2-hydroxy-4-methoxyphenyl)-1,3-oxazolidine-4-carboxylate

C12H15NO5 — CID 169422826

IUPACmethyl 2-(2-hydroxy-4-methoxyphenyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(c2ccc(OC)cc2O)N1
InChIInChI=1S/C12H15NO5/c1-16-7-3-4-8(10(14)5-7)11-13-9(6-18-11)12(15)17-2/h3-5,9,11,13-14H,6H2,1-2H3
InChIKeyVIXAFYZVQFKNGE-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.56
Rot. Bonds3

About methyl 2-(2-hydroxy-4-methoxyphenyl)-1,3-oxazolidine-4-carboxylate

methyl 2-(2-hydroxy-4-methoxyphenyl)-1,3-oxazolidine-4-carboxylate (PubChem CID 169422826) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is methyl 2-(2-hydroxy-4-methoxyphenyl)-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxy-4-methoxyphenyl)-1,3-oxazolidine-4-carboxylate
PubChem CID169422826
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Namemethyl 2-(2-hydroxy-4-methoxyphenyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(c2ccc(OC)cc2O)N1
InChIInChI=1S/C12H15NO5/c1-16-7-3-4-8(10(14)5-7)11-13-9(6-18-11)12(15)17-2/h3-5,9,11,13-14H,6H2,1-2H3
InChIKeyVIXAFYZVQFKNGE-UHFFFAOYSA-N
XLogP0.56
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxy-4-methoxyphenyl)-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 2-(2-hydroxy-4-methoxyphenyl)-1,3-oxazolidine-4-carboxylate (CID 169422826) is methyl 2-(2-hydroxy-4-methoxyphenyl)-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-(2-hydroxy-4-methoxyphenyl)-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 2-(2-hydroxy-4-methoxyphenyl)-1,3-oxazolidine-4-carboxylate is COC(=O)C1COC(c2ccc(OC)cc2O)N1.
What is the InChIKey of methyl 2-(2-hydroxy-4-methoxyphenyl)-1,3-oxazolidine-4-carboxylate?
The InChIKey is VIXAFYZVQFKNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-16-7-3-4-8(10(14)5-7)11-13-9(6-18-11)12(15)17-2/h3-5,9,11,13-14H,6H2,1-2H3.
What are the key properties of methyl 2-(2-hydroxy-4-methoxyphenyl)-1,3-oxazolidine-4-carboxylate?
methyl 2-(2-hydroxy-4-methoxyphenyl)-1,3-oxazolidine-4-carboxylate has a molecular weight of 253.25 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxy-4-methoxyphenyl)-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 169422826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).