(4Z)-4-[(3,5-dibromo-4-propan-2-yloxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one

C19H14Br2FNO3 — CID 19666059

About (4Z)-4-[(3,5-dibromo-4-propan-2-yloxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one

(4Z)-4-[(3,5-dibromo-4-propan-2-yloxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one (PubChem CID 19666059) has the molecular formula C19H14Br2FNO3 and a molecular weight of 483.13 g/mol. Its IUPAC name is (4Z)-4-[(3,5-dibromo-4-propan-2-yloxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one.

Molecular Properties

• Compound Name: (4Z)-4-[(3,5-dibromo-4-propan-2-yloxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
• PubChem CID: 19666059
• Molecular Formula: C19H14Br2FNO3
• Molecular Weight: 483.13 g/mol
• Exact Mass: 480.93
• IUPAC Name: (4Z)-4-[(3,5-dibromo-4-propan-2-yloxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
• SMILES: CC(C)Oc1c(Br)cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1Br
• InChI: InChI=1S/C19H14Br2FNO3/c1-10(2)25-17-14(20)6-11(7-15(17)21)8-16-19(24)26-18(23-16)12-4-3-5-13(22)9-12/h3-10H,1-2H3/b16-8-
• InChIKey: JLBPNZFXRXSRDJ-PXNMLYILSA-N
• XLogP: 5.48
• TPSA: 47.89 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.13
LogP ≤ 5	5.48
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-[(3,5-dibromo-4-propan-2-yloxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one?

The IUPAC name of (4Z)-4-[(3,5-dibromo-4-propan-2-yloxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one (CID 19666059) is (4Z)-4-[(3,5-dibromo-4-propan-2-yloxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one.

What is the SMILES notation for (4Z)-4-[(3,5-dibromo-4-propan-2-yloxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one?

The canonical SMILES for (4Z)-4-[(3,5-dibromo-4-propan-2-yloxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one is CC(C)Oc1c(Br)cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1Br.

What is the InChIKey of (4Z)-4-[(3,5-dibromo-4-propan-2-yloxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one?

The InChIKey is JLBPNZFXRXSRDJ-PXNMLYILSA-N. The full InChI is InChI=1S/C19H14Br2FNO3/c1-10(2)25-17-14(20)6-11(7-15(17)21)8-16-19(24)26-18(23-16)12-4-3-5-13(22)9-12/h3-10H,1-2H3/b16-8-.

What are the key properties of (4Z)-4-[(3,5-dibromo-4-propan-2-yloxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one?

(4Z)-4-[(3,5-dibromo-4-propan-2-yloxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one has a molecular weight of 483.13 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-4-[(3,5-dibromo-4-propan-2-yloxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 19666059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).