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

C24H16Cl3NO4 — CID 19672774

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

(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one (PubChem CID 19672774) has the molecular formula C24H16Cl3NO4 and a molecular weight of 488.75 g/mol. Its IUPAC name is (4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one.

Molecular Properties

• Compound Name: (4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one
• PubChem CID: 19672774
• Molecular Formula: C24H16Cl3NO4
• Molecular Weight: 488.75 g/mol
• Exact Mass: 487.01
• IUPAC Name: (4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one
• SMILES: COc1cc(/C=C2\N=C(c3ccc(Cl)c(Cl)c3)OC2=O)ccc1OCc1ccccc1Cl
• InChI: InChI=1S/C24H16Cl3NO4/c1-30-22-11-14(6-9-21(22)31-13-16-4-2-3-5-17(16)25)10-20-24(29)32-23(28-20)15-7-8-18(26)19(27)12-15/h2-12H,13H2,1H3/b20-10-
• InChIKey: HRQJSMAPTRDYDC-JMIUGGIZSA-N
• XLogP: 6.58
• TPSA: 57.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.75
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one?

The IUPAC name of (4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one (CID 19672774) is (4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one.

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

The canonical SMILES for (4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one is COc1cc(/C=C2\N=C(c3ccc(Cl)c(Cl)c3)OC2=O)ccc1OCc1ccccc1Cl.

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

The InChIKey is HRQJSMAPTRDYDC-JMIUGGIZSA-N. The full InChI is InChI=1S/C24H16Cl3NO4/c1-30-22-11-14(6-9-21(22)31-13-16-4-2-3-5-17(16)25)10-20-24(29)32-23(28-20)15-7-8-18(26)19(27)12-15/h2-12H,13H2,1H3/b20-10-.

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

(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one has a molecular weight of 488.75 g/mol, XLogP of 6.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 19672774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).