(4Z)-3-(4-methylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one

C19H15NO2 — CID 2263521

IUPAC(4Z)-3-(4-methylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one
SMILESCc1ccc(C2=NOC(=O)/C2=C\C=C\c2ccccc2)cc1
InChIInChI=1S/C19H15NO2/c1-14-10-12-16(13-11-14)18-17(19(21)22-20-18)9-5-8-15-6-3-2-4-7-15/h2-13H,1H3/b8-5+,17-9-
InChIKeyOCPXVDAZLOMXLU-WIXUPIFPSA-N
MW289.33 g/mol
LogP3.90
Rot. Bonds3

About (4Z)-3-(4-methylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one

(4Z)-3-(4-methylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one (PubChem CID 2263521) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is (4Z)-3-(4-methylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-3-(4-methylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one
PubChem CID2263521
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name(4Z)-3-(4-methylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one
SMILESCc1ccc(C2=NOC(=O)/C2=C\C=C\c2ccccc2)cc1
InChIInChI=1S/C19H15NO2/c1-14-10-12-16(13-11-14)18-17(19(21)22-20-18)9-5-8-15-6-3-2-4-7-15/h2-13H,1H3/b8-5+,17-9-
InChIKeyOCPXVDAZLOMXLU-WIXUPIFPSA-N
XLogP3.90
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-3-(4-methylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one?
The IUPAC name of (4Z)-3-(4-methylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one (CID 2263521) is (4Z)-3-(4-methylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-3-(4-methylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-3-(4-methylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one is Cc1ccc(C2=NOC(=O)/C2=C\C=C\c2ccccc2)cc1.
What is the InChIKey of (4Z)-3-(4-methylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one?
The InChIKey is OCPXVDAZLOMXLU-WIXUPIFPSA-N. The full InChI is InChI=1S/C19H15NO2/c1-14-10-12-16(13-11-14)18-17(19(21)22-20-18)9-5-8-15-6-3-2-4-7-15/h2-13H,1H3/b8-5+,17-9-.
What are the key properties of (4Z)-3-(4-methylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one?
(4Z)-3-(4-methylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one has a molecular weight of 289.33 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-(4-methylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one is sourced from PubChem (CID 2263521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).