4-[(3-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one

C14H8ClNO3 — CID 4015781

IUPAC4-[(3-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=NC1=Cc1cccc(Cl)c1
InChIInChI=1S/C14H8ClNO3/c15-10-4-1-3-9(7-10)8-11-14(17)19-13(16-11)12-5-2-6-18-12/h1-8H
InChIKeyFWYHOFDGRGRTTF-UHFFFAOYSA-N
MW273.68 g/mol
LogP3.28
Rot. Bonds2

About 4-[(3-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one

4-[(3-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one (PubChem CID 4015781) has the molecular formula C14H8ClNO3 and a molecular weight of 273.68 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
PubChem CID4015781
Molecular FormulaC14H8ClNO3
Molecular Weight273.68 g/mol
Exact Mass273.02
IUPAC Name4-[(3-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=NC1=Cc1cccc(Cl)c1
InChIInChI=1S/C14H8ClNO3/c15-10-4-1-3-9(7-10)8-11-14(17)19-13(16-11)12-5-2-6-18-12/h1-8H
InChIKeyFWYHOFDGRGRTTF-UHFFFAOYSA-N
XLogP3.28
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 53.28
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

(4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 5411455
(4E)-4-[(4-bromophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 20831515
4-[(3-chlorophenyl)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 3966448
(4E)-4-[(3-chlorophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 20831486
4-[(3-chlorophenyl)methylidene]-2-(2,3-dichlorophenyl)-1,3-oxazol-5-one
CID 3938845
(4Z)-4-[(3-chlorophenyl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 2689805
(4Z)-4-[(3-chlorophenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 5399614
4-[[4-(dimethylamino)phenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 3102650
2-(furan-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 5124809
4-[(4-bromo-3-nitrophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 3648847
(4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 19663204
2-(3-chlorophenyl)-4-[(3,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one
CID 2826490

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The IUPAC name of 4-[(3-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one (CID 4015781) is 4-[(3-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one.
What is the SMILES notation for 4-[(3-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The canonical SMILES for 4-[(3-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is O=C1OC(c2ccco2)=NC1=Cc1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The InChIKey is FWYHOFDGRGRTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO3/c15-10-4-1-3-9(7-10)8-11-14(17)19-13(16-11)12-5-2-6-18-12/h1-8H.
What are the key properties of 4-[(3-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
4-[(3-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one has a molecular weight of 273.68 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is sourced from PubChem (CID 4015781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).