(4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one

C18H15NO4 — CID 695112

IUPAC(4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESCCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1O
InChIInChI=1S/C18H15NO4/c1-2-22-16-11-12(8-9-15(16)20)10-14-17(19-23-18(14)21)13-6-4-3-5-7-13/h3-11,20H,2H2,1H3/b14-10-
InChIKeyIPKGNGXHPLMXAO-UVTDQMKNSA-N
MW309.32 g/mol
LogP3.14
Rot. Bonds4

About (4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one

(4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one (PubChem CID 695112) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is (4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
PubChem CID695112
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name(4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESCCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1O
InChIInChI=1S/C18H15NO4/c1-2-22-16-11-12(8-9-15(16)20)10-14-17(19-23-18(14)21)13-6-4-3-5-7-13/h3-11,20H,2H2,1H3/b14-10-
InChIKeyIPKGNGXHPLMXAO-UVTDQMKNSA-N
XLogP3.14
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one?
The IUPAC name of (4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one (CID 695112) is (4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one is CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1O.
What is the InChIKey of (4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one?
The InChIKey is IPKGNGXHPLMXAO-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H15NO4/c1-2-22-16-11-12(8-9-15(16)20)10-14-17(19-23-18(14)21)13-6-4-3-5-7-13/h3-11,20H,2H2,1H3/b14-10-.
What are the key properties of (4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one?
(4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one has a molecular weight of 309.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one is sourced from PubChem (CID 695112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).