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

C21H15Cl2NO2 — CID 6143201

IUPAC(4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
SMILESCC(/C=C1\N=C(/C=C/c2cccc(Cl)c2Cl)OC1=O)=C\c1ccccc1
InChIInChI=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-
InChIKeyDPLIXIIWHITFPP-AQOGTYRWSA-N
MW384.26 g/mol
LogP5.95
Rot. Bonds4

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 CID6143201
Molecular FormulaC21H15Cl2NO2
Molecular Weight384.26 g/mol
Exact Mass383.05
IUPAC Name(4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
SMILESCC(/C=C1\N=C(/C=C/c2cccc(Cl)c2Cl)OC1=O)=C\c1ccccc1
InChIInChI=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-
InChIKeyDPLIXIIWHITFPP-AQOGTYRWSA-N
XLogP5.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.26
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).