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

C24H16ClI2NO4 — CID 19673793

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

(4Z)-2-(2-chloro-5-iodophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 19673793) has the molecular formula C24H16ClI2NO4 and a molecular weight of 671.66 g/mol. Its IUPAC name is (4Z)-2-(2-chloro-5-iodophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

• Compound Name: (4Z)-2-(2-chloro-5-iodophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
• PubChem CID: 19673793
• Molecular Formula: C24H16ClI2NO4
• Molecular Weight: 671.66 g/mol
• Exact Mass: 670.89
• IUPAC Name: (4Z)-2-(2-chloro-5-iodophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
• SMILES: COc1cc(/C=C2\N=C(c3cc(I)ccc3Cl)OC2=O)ccc1OCc1ccccc1I
• InChI: InChI=1S/C24H16ClI2NO4/c1-30-22-11-14(6-9-21(22)31-13-15-4-2-3-5-19(15)27)10-20-24(29)32-23(28-20)17-12-16(26)7-8-18(17)25/h2-12H,13H2,1H3/b20-10-
• InChIKey: HJEOGAPZYSBOHO-JMIUGGIZSA-N
• XLogP: 6.48
• TPSA: 57.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	671.66
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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

The IUPAC name of (4Z)-2-(2-chloro-5-iodophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one (CID 19673793) is (4Z)-2-(2-chloro-5-iodophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one.

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

The canonical SMILES for (4Z)-2-(2-chloro-5-iodophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one is COc1cc(/C=C2\N=C(c3cc(I)ccc3Cl)OC2=O)ccc1OCc1ccccc1I.

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

The InChIKey is HJEOGAPZYSBOHO-JMIUGGIZSA-N. The full InChI is InChI=1S/C24H16ClI2NO4/c1-30-22-11-14(6-9-21(22)31-13-15-4-2-3-5-19(15)27)10-20-24(29)32-23(28-20)17-12-16(26)7-8-18(17)25/h2-12H,13H2,1H3/b20-10-.

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

(4Z)-2-(2-chloro-5-iodophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 671.66 g/mol, XLogP of 6.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-2-(2-chloro-5-iodophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 19673793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).