4-[(2,3-dimethoxyphenyl)methylidene]-2-methylidene-1,3-oxazolidin-5-one

C13H13NO4 — CID 56610478

IUPAC4-[(2,3-dimethoxyphenyl)methylidene]-2-methylidene-1,3-oxazolidin-5-one
SMILESC=c1[nH]c(=Cc2cccc(OC)c2OC)c(=O)o1
InChIInChI=1S/C13H13NO4/c1-8-14-10(13(15)18-8)7-9-5-4-6-11(16-2)12(9)17-3/h4-7,14H,1H2,2-3H3
InChIKeyZNPUBHTYQSJLKH-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.22
Rot. Bonds3

About 4-[(2,3-dimethoxyphenyl)methylidene]-2-methylidene-1,3-oxazolidin-5-one

4-[(2,3-dimethoxyphenyl)methylidene]-2-methylidene-1,3-oxazolidin-5-one (PubChem CID 56610478) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-[(2,3-dimethoxyphenyl)methylidene]-2-methylidene-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name4-[(2,3-dimethoxyphenyl)methylidene]-2-methylidene-1,3-oxazolidin-5-one
PubChem CID56610478
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name4-[(2,3-dimethoxyphenyl)methylidene]-2-methylidene-1,3-oxazolidin-5-one
SMILESC=c1[nH]c(=Cc2cccc(OC)c2OC)c(=O)o1
InChIInChI=1S/C13H13NO4/c1-8-14-10(13(15)18-8)7-9-5-4-6-11(16-2)12(9)17-3/h4-7,14H,1H2,2-3H3
InChIKeyZNPUBHTYQSJLKH-UHFFFAOYSA-N
XLogP0.22
TPSA64.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126148692
(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6023343
(2Z,4Z)-2,4-bis[(2,3-dimethoxyphenyl)methylidene]thiolan-3-one
CID 46246656
(5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one
CID 90965007
(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 686465
(1R,2E,4Z,5R)-2,4-bis[(2,3-dimethoxyphenyl)methylidene]-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 98185544
5-[(2,3-dimethoxyphenyl)methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3668018
(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 797131
3,5-bis[(2,3-dimethoxyphenyl)methylidene]-1-propylpiperidin-4-one
CID 1067759
5-[(2,3-dimethoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2879730
5-[(2,3-dimethoxyphenyl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1356775
(4Z)-4-[(2,3-dimethoxyphenyl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one
CID 18074330

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethoxyphenyl)methylidene]-2-methylidene-1,3-oxazolidin-5-one?
The IUPAC name of 4-[(2,3-dimethoxyphenyl)methylidene]-2-methylidene-1,3-oxazolidin-5-one (CID 56610478) is 4-[(2,3-dimethoxyphenyl)methylidene]-2-methylidene-1,3-oxazolidin-5-one.
What is the SMILES notation for 4-[(2,3-dimethoxyphenyl)methylidene]-2-methylidene-1,3-oxazolidin-5-one?
The canonical SMILES for 4-[(2,3-dimethoxyphenyl)methylidene]-2-methylidene-1,3-oxazolidin-5-one is C=c1[nH]c(=Cc2cccc(OC)c2OC)c(=O)o1.
What is the InChIKey of 4-[(2,3-dimethoxyphenyl)methylidene]-2-methylidene-1,3-oxazolidin-5-one?
The InChIKey is ZNPUBHTYQSJLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-8-14-10(13(15)18-8)7-9-5-4-6-11(16-2)12(9)17-3/h4-7,14H,1H2,2-3H3.
What are the key properties of 4-[(2,3-dimethoxyphenyl)methylidene]-2-methylidene-1,3-oxazolidin-5-one?
4-[(2,3-dimethoxyphenyl)methylidene]-2-methylidene-1,3-oxazolidin-5-one has a molecular weight of 247.25 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethoxyphenyl)methylidene]-2-methylidene-1,3-oxazolidin-5-one is sourced from PubChem (CID 56610478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).