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

C19H15NO3 — CID 2213416

IUPAC(4Z)-3-phenyl-4-[(4-prop-2-enoxyphenyl)methylidene]-1,2-oxazol-5-one
SMILESC=CCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1
InChIInChI=1S/C19H15NO3/c1-2-12-22-16-10-8-14(9-11-16)13-17-18(20-23-19(17)21)15-6-4-3-5-7-15/h2-11,13H,1,12H2/b17-13-
InChIKeyIVTBTMATXVOSGH-LGMDPLHJSA-N
MW305.33 g/mol
LogP3.60
Rot. Bonds5

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

(4Z)-3-phenyl-4-[(4-prop-2-enoxyphenyl)methylidene]-1,2-oxazol-5-one (PubChem CID 2213416) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is (4Z)-3-phenyl-4-[(4-prop-2-enoxyphenyl)methylidene]-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-3-phenyl-4-[(4-prop-2-enoxyphenyl)methylidene]-1,2-oxazol-5-one
PubChem CID2213416
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name(4Z)-3-phenyl-4-[(4-prop-2-enoxyphenyl)methylidene]-1,2-oxazol-5-one
SMILESC=CCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1
InChIInChI=1S/C19H15NO3/c1-2-12-22-16-10-8-14(9-11-16)13-17-18(20-23-19(17)21)15-6-4-3-5-7-15/h2-11,13H,1,12H2/b17-13-
InChIKeyIVTBTMATXVOSGH-LGMDPLHJSA-N
XLogP3.60
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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)-3-phenyl-4-[(4-prop-2-enoxyphenyl)methylidene]-1,2-oxazol-5-one?
The IUPAC name of (4Z)-3-phenyl-4-[(4-prop-2-enoxyphenyl)methylidene]-1,2-oxazol-5-one (CID 2213416) is (4Z)-3-phenyl-4-[(4-prop-2-enoxyphenyl)methylidene]-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-3-phenyl-4-[(4-prop-2-enoxyphenyl)methylidene]-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-3-phenyl-4-[(4-prop-2-enoxyphenyl)methylidene]-1,2-oxazol-5-one is C=CCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1.
What is the InChIKey of (4Z)-3-phenyl-4-[(4-prop-2-enoxyphenyl)methylidene]-1,2-oxazol-5-one?
The InChIKey is IVTBTMATXVOSGH-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H15NO3/c1-2-12-22-16-10-8-14(9-11-16)13-17-18(20-23-19(17)21)15-6-4-3-5-7-15/h2-11,13H,1,12H2/b17-13-.
What are the key properties of (4Z)-3-phenyl-4-[(4-prop-2-enoxyphenyl)methylidene]-1,2-oxazol-5-one?
(4Z)-3-phenyl-4-[(4-prop-2-enoxyphenyl)methylidene]-1,2-oxazol-5-one has a molecular weight of 305.33 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-phenyl-4-[(4-prop-2-enoxyphenyl)methylidene]-1,2-oxazol-5-one is sourced from PubChem (CID 2213416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).