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

C14H8ClNO2S — CID 3678318

IUPAC4-[(4-chlorophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
SMILESO=C1OC(c2cccs2)=NC1=Cc1ccc(Cl)cc1
InChIInChI=1S/C14H8ClNO2S/c15-10-5-3-9(4-6-10)8-11-14(17)18-13(16-11)12-2-1-7-19-12/h1-8H
InChIKeyAJJWFWPJTBEWIG-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.75
Rot. Bonds2

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

4-[(4-chlorophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one (PubChem CID 3678318) has the molecular formula C14H8ClNO2S and a molecular weight of 289.74 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
PubChem CID3678318
Molecular FormulaC14H8ClNO2S
Molecular Weight289.74 g/mol
Exact Mass289.00
IUPAC Name4-[(4-chlorophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
SMILESO=C1OC(c2cccs2)=NC1=Cc1ccc(Cl)cc1
InChIInChI=1S/C14H8ClNO2S/c15-10-5-3-9(4-6-10)8-11-14(17)18-13(16-11)12-2-1-7-19-12/h1-8H
InChIKeyAJJWFWPJTBEWIG-UHFFFAOYSA-N
XLogP3.75
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(4-chlorophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-4-[(4-methylphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 6368940
(4E)-4-[(4-methylsulfanylphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 2365519
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 840009
4-[(4-nitrophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 3877300
(4E)-4-[(4-propan-2-yloxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 108937063
(4Z)-4-[(4-prop-2-enoxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 2199451
2-[4-[(5-oxo-2-thiophen-2-yl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetamide
CID 833948
(4Z)-4-[(5-fluoro-3-pyridinyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 58533671
(4E)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylidene)-2-thiophen-2-yl-1,3-oxazol-5-one
CID 108936962
4-[(4-hexoxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 3313082
2-thiophen-2-yl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3441442
(4Z)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 2191650

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one?
The IUPAC name of 4-[(4-chlorophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one (CID 3678318) is 4-[(4-chlorophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one?
The canonical SMILES for 4-[(4-chlorophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one is O=C1OC(c2cccs2)=NC1=Cc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one?
The InChIKey is AJJWFWPJTBEWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO2S/c15-10-5-3-9(4-6-10)8-11-14(17)18-13(16-11)12-2-1-7-19-12/h1-8H.
What are the key properties of 4-[(4-chlorophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one?
4-[(4-chlorophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one has a molecular weight of 289.74 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one is sourced from PubChem (CID 3678318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).