(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one

C18H10Cl3NO2 — CID 6260137

IUPAC(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(/C=C/c2ccc(Cl)cc2)=N/C1=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C18H10Cl3NO2/c19-13-7-4-11(5-8-13)6-9-16-22-15(18(23)24-16)10-12-2-1-3-14(20)17(12)21/h1-10H/b9-6+,15-10+
InChIKeyLXRAKYVBZGZDLB-UJHPFZFGSA-N
MW378.64 g/mol
LogP5.66
Rot. Bonds3

About (4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one

(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 6260137) has the molecular formula C18H10Cl3NO2 and a molecular weight of 378.64 g/mol. Its IUPAC name is (4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one
PubChem CID6260137
Molecular FormulaC18H10Cl3NO2
Molecular Weight378.64 g/mol
Exact Mass376.98
IUPAC Name(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(/C=C/c2ccc(Cl)cc2)=N/C1=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C18H10Cl3NO2/c19-13-7-4-11(5-8-13)6-9-16-22-15(18(23)24-16)10-12-2-1-3-14(20)17(12)21/h1-10H/b9-6+,15-10+
InChIKeyLXRAKYVBZGZDLB-UJHPFZFGSA-N
XLogP5.66
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.64
LogP ≤ 55.66
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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Related Compounds

4-[(4-chlorophenyl)methylidene]-2-[2-(2,3-dichlorophenyl)ethenyl]-1,3-oxazol-5-one
CID 4216673
(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5-one
CID 6534113
2-[2-(4-chlorophenyl)ethenyl]-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 5011359
2-[2-(4-chlorophenyl)ethenyl]-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5-one
CID 5011360
4-[(3-bromophenyl)methylidene]-2-[2-(2,3-dichlorophenyl)ethenyl]-1,3-oxazol-5-one
CID 4216674
4-[(4-chlorophenyl)methylidene]-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-one
CID 4202958
2-[2-(2,4-dichlorophenyl)ethenyl]-4-[(2,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one
CID 5185948
(4Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 6390810
[5-[(Z)-[2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] acetate
CID 45105493
(4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 6143201
4-[(2,3-dichlorophenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 3427460
4-[(2-methoxyphenyl)methylidene]-2-(2-phenylethenyl)-1,3-oxazol-5-one
CID 4044485

Frequently Asked Questions

What is the IUPAC name of (4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one (CID 6260137) is (4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one is O=C1OC(/C=C/c2ccc(Cl)cc2)=N/C1=C/c1cccc(Cl)c1Cl.
What is the InChIKey of (4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is LXRAKYVBZGZDLB-UJHPFZFGSA-N. The full InChI is InChI=1S/C18H10Cl3NO2/c19-13-7-4-11(5-8-13)6-9-16-22-15(18(23)24-16)10-12-2-1-3-14(20)17(12)21/h1-10H/b9-6+,15-10+.
What are the key properties of (4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one?
(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 378.64 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 6260137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).