(4Z)-4-[(4,5-dibromofuran-2-yl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one

C20H11Br2NO3 — CID 19665384

About (4Z)-4-[(4,5-dibromofuran-2-yl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one

(4Z)-4-[(4,5-dibromofuran-2-yl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one (PubChem CID 19665384) has the molecular formula C20H11Br2NO3 and a molecular weight of 473.12 g/mol. Its IUPAC name is (4Z)-4-[(4,5-dibromofuran-2-yl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one.

Molecular Properties

• Compound Name: (4Z)-4-[(4,5-dibromofuran-2-yl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
• PubChem CID: 19665384
• Molecular Formula: C20H11Br2NO3
• Molecular Weight: 473.12 g/mol
• Exact Mass: 470.91
• IUPAC Name: (4Z)-4-[(4,5-dibromofuran-2-yl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
• SMILES: O=C1OC(c2ccc(-c3ccccc3)cc2)=N/C1=C\c1cc(Br)c(Br)o1
• InChI: InChI=1S/C20H11Br2NO3/c21-16-10-15(25-18(16)22)11-17-20(24)26-19(23-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H/b17-11-
• InChIKey: AXPNCQGUOPVMQP-BOPFTXTBSA-N
• XLogP: 5.82
• TPSA: 51.80 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.12
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4,5-dibromofuran-2-yl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one?

The IUPAC name of (4Z)-4-[(4,5-dibromofuran-2-yl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one (CID 19665384) is (4Z)-4-[(4,5-dibromofuran-2-yl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one.

What is the SMILES notation for (4Z)-4-[(4,5-dibromofuran-2-yl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one?

The canonical SMILES for (4Z)-4-[(4,5-dibromofuran-2-yl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one is O=C1OC(c2ccc(-c3ccccc3)cc2)=N/C1=C\c1cc(Br)c(Br)o1.

What is the InChIKey of (4Z)-4-[(4,5-dibromofuran-2-yl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one?

The InChIKey is AXPNCQGUOPVMQP-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H11Br2NO3/c21-16-10-15(25-18(16)22)11-17-20(24)26-19(23-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H/b17-11-.

What are the key properties of (4Z)-4-[(4,5-dibromofuran-2-yl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one?

(4Z)-4-[(4,5-dibromofuran-2-yl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one has a molecular weight of 473.12 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-4-[(4,5-dibromofuran-2-yl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 19665384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).