(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-[2-(2-fluorophenyl)ethyl]-1,3-oxazol-5-one

C19H15ClFNO3 — CID 108937187

IUPAC(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-[2-(2-fluorophenyl)ethyl]-1,3-oxazol-5-one
SMILESCOc1ccc(/C=C2/N=C(CCc3ccccc3F)OC2=O)cc1Cl
InChIInChI=1S/C19H15ClFNO3/c1-24-17-8-6-12(10-14(17)20)11-16-19(23)25-18(22-16)9-7-13-4-2-3-5-15(13)21/h2-6,8,10-11H,7,9H2,1H3/b16-11+
InChIKeyVIJNLFCLDCBGAX-LFIBNONCSA-N
MW359.78 g/mol
LogP4.42
Rot. Bonds5

About (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-[2-(2-fluorophenyl)ethyl]-1,3-oxazol-5-one

(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-[2-(2-fluorophenyl)ethyl]-1,3-oxazol-5-one (PubChem CID 108937187) has the molecular formula C19H15ClFNO3 and a molecular weight of 359.78 g/mol. Its IUPAC name is (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-[2-(2-fluorophenyl)ethyl]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-[2-(2-fluorophenyl)ethyl]-1,3-oxazol-5-one
PubChem CID108937187
Molecular FormulaC19H15ClFNO3
Molecular Weight359.78 g/mol
Exact Mass359.07
IUPAC Name(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-[2-(2-fluorophenyl)ethyl]-1,3-oxazol-5-one
SMILESCOc1ccc(/C=C2/N=C(CCc3ccccc3F)OC2=O)cc1Cl
InChIInChI=1S/C19H15ClFNO3/c1-24-17-8-6-12(10-14(17)20)11-16-19(23)25-18(22-16)9-7-13-4-2-3-5-15(13)21/h2-6,8,10-11H,7,9H2,1H3/b16-11+
InChIKeyVIJNLFCLDCBGAX-LFIBNONCSA-N
XLogP4.42
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-[(4-chlorophenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1,3-oxazol-5-one
CID 108936396
(4E)-2-ethyl-4-[(3-fluoro-4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108937103
(4E)-4-[(4-methoxy-3-methylphenyl)methylidene]-2-(2-phenylethyl)-1,3-oxazol-5-one
CID 108937231
(4E)-4-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-2-(2-phenylethyl)-1,3-oxazol-5-one
CID 108937617
(4E)-4-[(4-methoxy-3-methylphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1,3-oxazol-5-one
CID 108937235
2-(2-chloro-4,5-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4125813
(4E)-4-[(3-fluoro-4-methoxyphenyl)methylidene]-2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-one
CID 108937130
(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(2-phenoxyethyl)-1,3-oxazol-5-one
CID 108936590
2-(2-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
CID 2875008
(4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-one
CID 108937437
(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-[2-(3-methoxyphenyl)ethyl]-1,3-oxazol-5-one
CID 108937580
(4Z)-2-[2-(2-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 108936034

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-[2-(2-fluorophenyl)ethyl]-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-[2-(2-fluorophenyl)ethyl]-1,3-oxazol-5-one (CID 108937187) is (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-[2-(2-fluorophenyl)ethyl]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-[2-(2-fluorophenyl)ethyl]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-[2-(2-fluorophenyl)ethyl]-1,3-oxazol-5-one is COc1ccc(/C=C2/N=C(CCc3ccccc3F)OC2=O)cc1Cl.
What is the InChIKey of (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-[2-(2-fluorophenyl)ethyl]-1,3-oxazol-5-one?
The InChIKey is VIJNLFCLDCBGAX-LFIBNONCSA-N. The full InChI is InChI=1S/C19H15ClFNO3/c1-24-17-8-6-12(10-14(17)20)11-16-19(23)25-18(22-16)9-7-13-4-2-3-5-15(13)21/h2-6,8,10-11H,7,9H2,1H3/b16-11+.
What are the key properties of (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-[2-(2-fluorophenyl)ethyl]-1,3-oxazol-5-one?
(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-[2-(2-fluorophenyl)ethyl]-1,3-oxazol-5-one has a molecular weight of 359.78 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-[2-(2-fluorophenyl)ethyl]-1,3-oxazol-5-one is sourced from PubChem (CID 108937187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).