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

C19H15BrClNO4 — CID 19655751

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

(4Z)-4-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-methyl-1,3-oxazol-5-one (PubChem CID 19655751) has the molecular formula C19H15BrClNO4 and a molecular weight of 436.69 g/mol. Its IUPAC name is (4Z)-4-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-methyl-1,3-oxazol-5-one.

Molecular Properties

• Compound Name: (4Z)-4-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-methyl-1,3-oxazol-5-one
• PubChem CID: 19655751
• Molecular Formula: C19H15BrClNO4
• Molecular Weight: 436.69 g/mol
• Exact Mass: 434.99
• IUPAC Name: (4Z)-4-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-methyl-1,3-oxazol-5-one
• SMILES: COc1cc(/C=C2\N=C(C)OC2=O)c(Br)cc1OCc1ccccc1Cl
• InChI: InChI=1S/C19H15BrClNO4/c1-11-22-16(19(23)26-11)7-13-8-17(24-2)18(9-14(13)20)25-10-12-5-3-4-6-15(12)21/h3-9H,10H2,1-2H3/b16-7-
• InChIKey: MFWMNNVJXAJAOU-APSNUPSMSA-N
• XLogP: 5.01
• TPSA: 57.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.69
LogP ≤ 5	5.01
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-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-methyl-1,3-oxazol-5-one?

The IUPAC name of (4Z)-4-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-methyl-1,3-oxazol-5-one (CID 19655751) is (4Z)-4-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-methyl-1,3-oxazol-5-one.

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

The canonical SMILES for (4Z)-4-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-methyl-1,3-oxazol-5-one is COc1cc(/C=C2\N=C(C)OC2=O)c(Br)cc1OCc1ccccc1Cl.

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

The InChIKey is MFWMNNVJXAJAOU-APSNUPSMSA-N. The full InChI is InChI=1S/C19H15BrClNO4/c1-11-22-16(19(23)26-11)7-13-8-17(24-2)18(9-14(13)20)25-10-12-5-3-4-6-15(12)21/h3-9H,10H2,1-2H3/b16-7-.

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

(4Z)-4-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-methyl-1,3-oxazol-5-one has a molecular weight of 436.69 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-4-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-methyl-1,3-oxazol-5-one is sourced from PubChem (CID 19655751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).