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

C20H10Cl2INO3 — CID 3585390

IUPAC4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(I)cc2)=NC1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C20H10Cl2INO3/c21-12-3-7-15(16(22)9-12)18-8-6-14(26-18)10-17-20(25)27-19(24-17)11-1-4-13(23)5-2-11/h1-10H
InChIKeyQIEOJTROKZABGC-UHFFFAOYSA-N
MW510.11 g/mol
LogP6.20
Rot. Bonds3

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

4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one (PubChem CID 3585390) has the molecular formula C20H10Cl2INO3 and a molecular weight of 510.11 g/mol. Its IUPAC name is 4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
PubChem CID3585390
Molecular FormulaC20H10Cl2INO3
Molecular Weight510.11 g/mol
Exact Mass508.91
IUPAC Name4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(I)cc2)=NC1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C20H10Cl2INO3/c21-12-3-7-15(16(22)9-12)18-8-6-14(26-18)10-17-20(25)27-19(24-17)11-1-4-13(23)5-2-11/h1-10H
InChIKeyQIEOJTROKZABGC-UHFFFAOYSA-N
XLogP6.20
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.11
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-iodophenyl)-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

(4Z)-4-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
CID 19670849
(4Z)-4-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
CID 19670552
4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one
CID 3926020
4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one
CID 3570760
(4Z)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 6104686
4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5-one
CID 3628466
(4E)-4-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5369590
(4Z)-4-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(4-iodo-3-methylphenyl)-1,3-oxazol-5-one
CID 19671960
(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one
CID 19672568
4-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 1353871
(4E)-2-(2-chlorophenyl)-4-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 6525805
(4Z)-2-(2,4-dichlorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 19670053

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one?
The IUPAC name of 4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one (CID 3585390) is 4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one.
What is the SMILES notation for 4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one?
The canonical SMILES for 4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one is O=C1OC(c2ccc(I)cc2)=NC1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one?
The InChIKey is QIEOJTROKZABGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2INO3/c21-12-3-7-15(16(22)9-12)18-8-6-14(26-18)10-17-20(25)27-19(24-17)11-1-4-13(23)5-2-11/h1-10H.
What are the key properties of 4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one?
4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one has a molecular weight of 510.11 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 3585390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).