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

C16H9ClINO2 — CID 1270629

IUPAC2-(2-chlorophenyl)-4-[(4-iodophenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2Cl)=NC1=Cc1ccc(I)cc1
InChIInChI=1S/C16H9ClINO2/c17-13-4-2-1-3-12(13)15-19-14(16(20)21-15)9-10-5-7-11(18)8-6-10/h1-9H
InChIKeyHCHSOEPVVDSVNJ-UHFFFAOYSA-N
MW409.61 g/mol
LogP4.29
Rot. Bonds2

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

2-(2-chlorophenyl)-4-[(4-iodophenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 1270629) has the molecular formula C16H9ClINO2 and a molecular weight of 409.61 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[(4-iodophenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[(4-iodophenyl)methylidene]-1,3-oxazol-5-one
PubChem CID1270629
Molecular FormulaC16H9ClINO2
Molecular Weight409.61 g/mol
Exact Mass408.94
IUPAC Name2-(2-chlorophenyl)-4-[(4-iodophenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2Cl)=NC1=Cc1ccc(I)cc1
InChIInChI=1S/C16H9ClINO2/c17-13-4-2-1-3-12(13)15-19-14(16(20)21-15)9-10-5-7-11(18)8-6-10/h1-9H
InChIKeyHCHSOEPVVDSVNJ-UHFFFAOYSA-N
XLogP4.29
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.61
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenyl)-4-[(4-iodophenyl)methylidene]-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-iodophenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 20834643
2-(2-chlorophenyl)-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one
CID 3876449
2-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)methylidene]-1,3-oxazol-5-one
CID 5022586
(4E)-2-(2-chlorophenyl)-4-[(4-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 34852441
4-[(3,4-dichlorophenyl)methylidene]-2-(2-iodophenyl)-1,3-oxazol-5-one
CID 2826184
[4-[(Z)-[2-(2-chloro-5-iodophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 2-chlorobenzoate
CID 19673948
(4Z)-2-(2-chloro-5-iodophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 19673561
[4-[[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
CID 3089569
(4Z)-2-(2-chlorophenyl)-4-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
CID 19664189
2-(2-chloro-5-iodophenyl)-4-[(2-chlorophenyl)methylidene]-1,3-oxazol-5-one
CID 3095641
(4E)-2-(2-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 806080
(4Z)-2-(2-chlorophenyl)-4-[(3,5-diiodo-4-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19664295

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[(4-iodophenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-(2-chlorophenyl)-4-[(4-iodophenyl)methylidene]-1,3-oxazol-5-one (CID 1270629) is 2-(2-chlorophenyl)-4-[(4-iodophenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[(4-iodophenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-(2-chlorophenyl)-4-[(4-iodophenyl)methylidene]-1,3-oxazol-5-one is O=C1OC(c2ccccc2Cl)=NC1=Cc1ccc(I)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-4-[(4-iodophenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is HCHSOEPVVDSVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClINO2/c17-13-4-2-1-3-12(13)15-19-14(16(20)21-15)9-10-5-7-11(18)8-6-10/h1-9H.
What are the key properties of 2-(2-chlorophenyl)-4-[(4-iodophenyl)methylidene]-1,3-oxazol-5-one?
2-(2-chlorophenyl)-4-[(4-iodophenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 409.61 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[(4-iodophenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 1270629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).