5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-oxazolidine-2,4-dione

C12H11NO4 — CID 54537503

IUPAC5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESCc1cc(C=C2OC(=O)NC2=O)cc(C)c1O
InChIInChI=1S/C12H11NO4/c1-6-3-8(4-7(2)10(6)14)5-9-11(15)13-12(16)17-9/h3-5,14H,1-2H3,(H,13,15,16)
InChIKeyZAVFXUIHTLBPDU-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.62
Rot. Bonds1

About 5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-oxazolidine-2,4-dione

5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-oxazolidine-2,4-dione (PubChem CID 54537503) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-oxazolidine-2,4-dione
PubChem CID54537503
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESCc1cc(C=C2OC(=O)NC2=O)cc(C)c1O
InChIInChI=1S/C12H11NO4/c1-6-3-8(4-7(2)10(6)14)5-9-11(15)13-12(16)17-9/h3-5,14H,1-2H3,(H,13,15,16)
InChIKeyZAVFXUIHTLBPDU-UHFFFAOYSA-N
XLogP1.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-oxazolidine-2,4-dione (CID 54537503) is 5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-oxazolidine-2,4-dione is Cc1cc(C=C2OC(=O)NC2=O)cc(C)c1O.
What is the InChIKey of 5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The InChIKey is ZAVFXUIHTLBPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-6-3-8(4-7(2)10(6)14)5-9-11(15)13-12(16)17-9/h3-5,14H,1-2H3,(H,13,15,16).
What are the key properties of 5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-oxazolidine-2,4-dione has a molecular weight of 233.22 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 54537503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).