(4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one

C21H15Cl2NO2 — CID 6143201

About (4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one

(4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one (PubChem CID 6143201) has the molecular formula C21H15Cl2NO2 and a molecular weight of 384.26 g/mol. Its IUPAC name is (4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one.

Molecular Properties

• Compound Name: (4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
• PubChem CID: 6143201
• Molecular Formula: C21H15Cl2NO2
• Molecular Weight: 384.26 g/mol
• Exact Mass: 383.05
• IUPAC Name: (4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
• SMILES: CC(/C=C1\N=C(/C=C/c2cccc(Cl)c2Cl)OC1=O)=C\c1ccccc1
• InChI: InChI=1S/C21H15Cl2NO2/c1-14(12-15-6-3-2-4-7-15)13-18-21(25)26-19(24-18)11-10-16-8-5-9-17(22)20(16)23/h2-13H,1H3/b11-10+,14-12+,18-13-
• InChIKey: DPLIXIIWHITFPP-AQOGTYRWSA-N
• XLogP: 5.95
• TPSA: 38.66 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.26
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?

The IUPAC name of (4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one (CID 6143201) is (4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one.

What is the SMILES notation for (4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?

The canonical SMILES for (4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is CC(/C=C1\N=C(/C=C/c2cccc(Cl)c2Cl)OC1=O)=C\c1ccccc1.

What is the InChIKey of (4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?

The InChIKey is DPLIXIIWHITFPP-AQOGTYRWSA-N. The full InChI is InChI=1S/C21H15Cl2NO2/c1-14(12-15-6-3-2-4-7-15)13-18-21(25)26-19(24-18)11-10-16-8-5-9-17(22)20(16)23/h2-13H,1H3/b11-10+,14-12+,18-13-.

What are the key properties of (4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?

(4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one has a molecular weight of 384.26 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 6143201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).