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

C24H18INO3 — CID 19668000

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

(4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one (PubChem CID 19668000) has the molecular formula C24H18INO3 and a molecular weight of 495.32 g/mol. Its IUPAC name is (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one.

Molecular Properties

• Compound Name: (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
• PubChem CID: 19668000
• Molecular Formula: C24H18INO3
• Molecular Weight: 495.32 g/mol
• Exact Mass: 495.03
• IUPAC Name: (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
• SMILES: Cc1ccccc1C1=N/C(=C\c2ccc(OCc3cccc(I)c3)cc2)C(=O)O1
• InChI: InChI=1S/C24H18INO3/c1-16-5-2-3-8-21(16)23-26-22(24(27)29-23)14-17-9-11-20(12-10-17)28-15-18-6-4-7-19(25)13-18/h2-14H,15H2,1H3/b22-14-
• InChIKey: SFVNWZBKKRUZOS-HMAPJEAMSA-N
• XLogP: 5.52
• TPSA: 47.89 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.32
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one?

The IUPAC name of (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one (CID 19668000) is (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one.

What is the SMILES notation for (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one?

The canonical SMILES for (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one is Cc1ccccc1C1=N/C(=C\c2ccc(OCc3cccc(I)c3)cc2)C(=O)O1.

What is the InChIKey of (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one?

The InChIKey is SFVNWZBKKRUZOS-HMAPJEAMSA-N. The full InChI is InChI=1S/C24H18INO3/c1-16-5-2-3-8-21(16)23-26-22(24(27)29-23)14-17-9-11-20(12-10-17)28-15-18-6-4-7-19(25)13-18/h2-14H,15H2,1H3/b22-14-.

What are the key properties of (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one?

(4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one has a molecular weight of 495.32 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 19668000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).