(4E)-4-[(2-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one

C11H9NO3 — CID 135510127

IUPAC(4E)-4-[(2-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
SMILESCC1=NOC(=O)/C1=C/c1ccccc1O
InChIInChI=1S/C11H9NO3/c1-7-9(11(14)15-12-7)6-8-4-2-3-5-10(8)13/h2-6,13H,1H3/b9-6+
InChIKeyWAOBRDOLWISCRM-RMKNXTFCSA-N
MW203.20 g/mol
LogP1.71
Rot. Bonds1

About (4E)-4-[(2-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one

(4E)-4-[(2-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one (PubChem CID 135510127) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is (4E)-4-[(2-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(2-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
PubChem CID135510127
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name(4E)-4-[(2-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
SMILESCC1=NOC(=O)/C1=C/c1ccccc1O
InChIInChI=1S/C11H9NO3/c1-7-9(11(14)15-12-7)6-8-4-2-3-5-10(8)13/h2-6,13H,1H3/b9-6+
InChIKeyWAOBRDOLWISCRM-RMKNXTFCSA-N
XLogP1.71
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Analyze (4E)-4-[(2-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(2-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one?
The IUPAC name of (4E)-4-[(2-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one (CID 135510127) is (4E)-4-[(2-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one.
What is the SMILES notation for (4E)-4-[(2-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one?
The canonical SMILES for (4E)-4-[(2-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one is CC1=NOC(=O)/C1=C/c1ccccc1O.
What is the InChIKey of (4E)-4-[(2-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one?
The InChIKey is WAOBRDOLWISCRM-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H9NO3/c1-7-9(11(14)15-12-7)6-8-4-2-3-5-10(8)13/h2-6,13H,1H3/b9-6+.
What are the key properties of (4E)-4-[(2-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one?
(4E)-4-[(2-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one has a molecular weight of 203.20 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(2-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one is sourced from PubChem (CID 135510127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).