(4E)-4-[1-(4-methylphenyl)ethylidene]-2-phenyl-1,3-oxazol-5-one

C18H15NO2 — CID 832414

IUPAC(4E)-4-[1-(4-methylphenyl)ethylidene]-2-phenyl-1,3-oxazol-5-one
SMILESC/C(=C1\N=C(c2ccccc2)OC1=O)c1ccc(C)cc1
InChIInChI=1S/C18H15NO2/c1-12-8-10-14(11-9-12)13(2)16-18(20)21-17(19-16)15-6-4-3-5-7-15/h3-11H,1-2H3/b16-13+
InChIKeyQFFMBOXLYJKPKE-DTQAZKPQSA-N
MW277.32 g/mol
LogP3.73
Rot. Bonds2

About (4E)-4-[1-(4-methylphenyl)ethylidene]-2-phenyl-1,3-oxazol-5-one

(4E)-4-[1-(4-methylphenyl)ethylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 832414) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is (4E)-4-[1-(4-methylphenyl)ethylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[1-(4-methylphenyl)ethylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID832414
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name(4E)-4-[1-(4-methylphenyl)ethylidene]-2-phenyl-1,3-oxazol-5-one
SMILESC/C(=C1\N=C(c2ccccc2)OC1=O)c1ccc(C)cc1
InChIInChI=1S/C18H15NO2/c1-12-8-10-14(11-9-12)13(2)16-18(20)21-17(19-16)15-6-4-3-5-7-15/h3-11H,1-2H3/b16-13+
InChIKeyQFFMBOXLYJKPKE-DTQAZKPQSA-N
XLogP3.73
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.73
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 (4E)-4-[1-(4-methylphenyl)ethylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[1-(4-methylphenyl)ethylidene]-2-phenyl-1,3-oxazol-5-one (CID 832414) is (4E)-4-[1-(4-methylphenyl)ethylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[1-(4-methylphenyl)ethylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[1-(4-methylphenyl)ethylidene]-2-phenyl-1,3-oxazol-5-one is C/C(=C1\N=C(c2ccccc2)OC1=O)c1ccc(C)cc1.
What is the InChIKey of (4E)-4-[1-(4-methylphenyl)ethylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is QFFMBOXLYJKPKE-DTQAZKPQSA-N. The full InChI is InChI=1S/C18H15NO2/c1-12-8-10-14(11-9-12)13(2)16-18(20)21-17(19-16)15-6-4-3-5-7-15/h3-11H,1-2H3/b16-13+.
What are the key properties of (4E)-4-[1-(4-methylphenyl)ethylidene]-2-phenyl-1,3-oxazol-5-one?
(4E)-4-[1-(4-methylphenyl)ethylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 277.32 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[1-(4-methylphenyl)ethylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 832414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).