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

C23H16INO3 — CID 4152824

IUPAC4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1=Cc1ccc(OCc2cccc(I)c2)cc1
InChIInChI=1S/C23H16INO3/c24-19-8-4-5-17(13-19)15-27-20-11-9-16(10-12-20)14-21-23(26)28-22(25-21)18-6-2-1-3-7-18/h1-14H,15H2
InChIKeyFGDIVIBOKWQHOI-UHFFFAOYSA-N
MW481.29 g/mol
LogP5.21
Rot. Bonds5

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

4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 4152824) has the molecular formula C23H16INO3 and a molecular weight of 481.29 g/mol. Its IUPAC name is 4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID4152824
Molecular FormulaC23H16INO3
Molecular Weight481.29 g/mol
Exact Mass481.02
IUPAC Name4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1=Cc1ccc(OCc2cccc(I)c2)cc1
InChIInChI=1S/C23H16INO3/c24-19-8-4-5-17(13-19)15-27-20-11-9-16(10-12-20)14-21-23(26)28-22(25-21)18-6-2-1-3-7-18/h1-14H,15H2
InChIKeyFGDIVIBOKWQHOI-UHFFFAOYSA-N
XLogP5.21
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.29
LogP ≤ 55.21
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'}

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Related Compounds

(4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 19662014
(4Z)-4-[[3-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665542
(4Z)-2-(4-iodophenyl)-4-[(4-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 5285822
(4Z)-4-[(4-phenylmethoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665278
(4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 19668000
2-(3-chlorophenyl)-4-[(4-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3109497
(4E)-2-(3-iodophenyl)-4-[(4-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2203438
(4Z)-2-(3-iodophenyl)-4-[(4-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2203439
(4Z)-4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665456
(4Z)-2-(3-bromo-4-iodophenyl)-4-[[3-[(3-iodophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19671289
(4Z)-4-[[3,5-diiodo-4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 19674760
(4Z)-4-[[3-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 19663657

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one (CID 4152824) is 4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=NC1=Cc1ccc(OCc2cccc(I)c2)cc1.
What is the InChIKey of 4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is FGDIVIBOKWQHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16INO3/c24-19-8-4-5-17(13-19)15-27-20-11-9-16(10-12-20)14-21-23(26)28-22(25-21)18-6-2-1-3-7-18/h1-14H,15H2.
What are the key properties of 4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 481.29 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 4152824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).