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

C19H15NO2 — CID 6376727

IUPAC(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCC(/C=C1\N=C(c2ccccc2)OC1=O)=C\c1ccccc1
InChIInChI=1S/C19H15NO2/c1-14(12-15-8-4-2-5-9-15)13-17-19(21)22-18(20-17)16-10-6-3-7-11-16/h2-13H,1H3/b14-12+,17-13-
InChIKeyUVKZWZBCYDRXJB-PZAFVPBJSA-N
MW289.33 g/mol
LogP3.98
Rot. Bonds3

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

(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 6376727) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is (4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID6376727
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCC(/C=C1\N=C(c2ccccc2)OC1=O)=C\c1ccccc1
InChIInChI=1S/C19H15NO2/c1-14(12-15-8-4-2-5-9-15)13-17-19(21)22-18(20-17)16-10-6-3-7-11-16/h2-13H,1H3/b14-12+,17-13-
InChIKeyUVKZWZBCYDRXJB-PZAFVPBJSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-phenyl-1,3-oxazol-5-one (CID 6376727) is (4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-phenyl-1,3-oxazol-5-one is CC(/C=C1\N=C(c2ccccc2)OC1=O)=C\c1ccccc1.
What is the InChIKey of (4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is UVKZWZBCYDRXJB-PZAFVPBJSA-N. The full InChI is InChI=1S/C19H15NO2/c1-14(12-15-8-4-2-5-9-15)13-17-19(21)22-18(20-17)16-10-6-3-7-11-16/h2-13H,1H3/b14-12+,17-13-.
What are the key properties of (4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-phenyl-1,3-oxazol-5-one?
(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 289.33 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 6376727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).