(4Z)-2-(3-fluorophenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one

C17H12FNO2 — CID 740203

IUPAC(4Z)-2-(3-fluorophenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1
InChIInChI=1S/C17H12FNO2/c1-11-5-7-12(8-6-11)9-15-17(20)21-16(19-15)13-3-2-4-14(18)10-13/h2-10H,1H3/b15-9-
InChIKeyQQDFWHGQUFESLJ-DHDCSXOGSA-N
MW281.29 g/mol
LogP3.48
Rot. Bonds2

About (4Z)-2-(3-fluorophenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one

(4Z)-2-(3-fluorophenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 740203) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is (4Z)-2-(3-fluorophenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(3-fluorophenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID740203
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name(4Z)-2-(3-fluorophenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1
InChIInChI=1S/C17H12FNO2/c1-11-5-7-12(8-6-11)9-15-17(20)21-16(19-15)13-3-2-4-14(18)10-13/h2-10H,1H3/b15-9-
InChIKeyQQDFWHGQUFESLJ-DHDCSXOGSA-N
XLogP3.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.48
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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Related Compounds

Oxazolone
CID 1712094
(E)-4-(ethoxymethylene)-2-phenyloxazol-5(4H)-one
CID 1712093
(Z)-4-(4-Bromobenzylidene)-2-phenyloxazol-5(4H)-one
CID 1549540
4,4'-(1,4-Phenylenedimethylidyne)bis(2-phenyloxazol-5(4H)-one)
CID 1550025
4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
CID 704134
4-((5-Oxo-2-phenyl-4(5H)-oxazolylidene)methyl)benzenecarboximidamide
CID 16220264
4-Isopropylidene-2-phenyl-5(4H)-oxazole
CID 225481
4,4'-(1,4-Phenylenedimethanylylidene)bis(2-phenyl-1,3-oxazol-5(4H)-one)
CID 2202908
4-(4-Bromo-benzylidene)-2-phenyl-4H-oxazol-5-one
CID 1549539
4-(3-Fluoro-benzylidene)-2-p-tolyl-4H-oxazol-5-one
CID 1733419
2-(4-Fluoro-phenyl)-4-(3-phenyl-allylidene)-4H-oxazol-5-one
CID 1921332
(4Z)-4-(1-methyl-2-pyridinylidene)-2-phenyl-1,3-oxazol-5-one
CID 6078227

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(3-fluorophenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(3-fluorophenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one (CID 740203) is (4Z)-2-(3-fluorophenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(3-fluorophenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(3-fluorophenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one is Cc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1.
What is the InChIKey of (4Z)-2-(3-fluorophenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is QQDFWHGQUFESLJ-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H12FNO2/c1-11-5-7-12(8-6-11)9-15-17(20)21-16(19-15)13-3-2-4-14(18)10-13/h2-10H,1H3/b15-9-.
What are the key properties of (4Z)-2-(3-fluorophenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-(3-fluorophenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 281.29 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(3-fluorophenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 740203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).