5-(2,3-dimethoxyphenyl)-2-imino-3-methyl-1,3-oxazolidin-4-one

C12H14N2O4 — CID 121002490

IUPAC5-(2,3-dimethoxyphenyl)-2-imino-3-methyl-1,3-oxazolidin-4-one
SMILES[H]/N=C1\OC(c2cccc(OC)c2OC)C(=O)N1C
InChIInChI=1S/C12H14N2O4/c1-14-11(15)10(18-12(14)13)7-5-4-6-8(16-2)9(7)17-3/h4-6,10,13H,1-3H3/b13-12-
InChIKeyGNPPQMLJELTSJU-SEYXRHQNSA-N
MW250.25 g/mol
LogP1.17
Rot. Bonds3

About 5-(2,3-dimethoxyphenyl)-2-imino-3-methyl-1,3-oxazolidin-4-one

5-(2,3-dimethoxyphenyl)-2-imino-3-methyl-1,3-oxazolidin-4-one (PubChem CID 121002490) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-(2,3-dimethoxyphenyl)-2-imino-3-methyl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name5-(2,3-dimethoxyphenyl)-2-imino-3-methyl-1,3-oxazolidin-4-one
PubChem CID121002490
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name5-(2,3-dimethoxyphenyl)-2-imino-3-methyl-1,3-oxazolidin-4-one
SMILES[H]/N=C1\OC(c2cccc(OC)c2OC)C(=O)N1C
InChIInChI=1S/C12H14N2O4/c1-14-11(15)10(18-12(14)13)7-5-4-6-8(16-2)9(7)17-3/h4-6,10,13H,1-3H3/b13-12-
InChIKeyGNPPQMLJELTSJU-SEYXRHQNSA-N
XLogP1.17
TPSA71.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethoxyphenyl)-2-imino-3-methyl-1,3-oxazolidin-4-one?
The IUPAC name of 5-(2,3-dimethoxyphenyl)-2-imino-3-methyl-1,3-oxazolidin-4-one (CID 121002490) is 5-(2,3-dimethoxyphenyl)-2-imino-3-methyl-1,3-oxazolidin-4-one.
What is the SMILES notation for 5-(2,3-dimethoxyphenyl)-2-imino-3-methyl-1,3-oxazolidin-4-one?
The canonical SMILES for 5-(2,3-dimethoxyphenyl)-2-imino-3-methyl-1,3-oxazolidin-4-one is [H]/N=C1\OC(c2cccc(OC)c2OC)C(=O)N1C.
What is the InChIKey of 5-(2,3-dimethoxyphenyl)-2-imino-3-methyl-1,3-oxazolidin-4-one?
The InChIKey is GNPPQMLJELTSJU-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-14-11(15)10(18-12(14)13)7-5-4-6-8(16-2)9(7)17-3/h4-6,10,13H,1-3H3/b13-12-.
What are the key properties of 5-(2,3-dimethoxyphenyl)-2-imino-3-methyl-1,3-oxazolidin-4-one?
5-(2,3-dimethoxyphenyl)-2-imino-3-methyl-1,3-oxazolidin-4-one has a molecular weight of 250.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethoxyphenyl)-2-imino-3-methyl-1,3-oxazolidin-4-one is sourced from PubChem (CID 121002490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).