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

C20H14ClNO2 — CID 6390810

IUPAC(4Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
SMILESO=C1OC(/C=C/c2ccc(Cl)cc2)=N/C1=C\C=C\c1ccccc1
InChIInChI=1S/C20H14ClNO2/c21-17-12-9-16(10-13-17)11-14-19-22-18(20(23)24-19)8-4-7-15-5-2-1-3-6-15/h1-14H/b7-4+,14-11+,18-8-
InChIKeyXZHKAQIJFWMXMB-PBFDEZFCSA-N
MW335.79 g/mol
LogP4.91
Rot. Bonds4

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

(4Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one (PubChem CID 6390810) has the molecular formula C20H14ClNO2 and a molecular weight of 335.79 g/mol. Its IUPAC name is (4Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
PubChem CID6390810
Molecular FormulaC20H14ClNO2
Molecular Weight335.79 g/mol
Exact Mass335.07
IUPAC Name(4Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
SMILESO=C1OC(/C=C/c2ccc(Cl)cc2)=N/C1=C\C=C\c1ccccc1
InChIInChI=1S/C20H14ClNO2/c21-17-12-9-16(10-13-17)11-14-19-22-18(20(23)24-19)8-4-7-15-5-2-1-3-6-15/h1-14H/b7-4+,14-11+,18-8-
InChIKeyXZHKAQIJFWMXMB-PBFDEZFCSA-N
XLogP4.91
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.91
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

(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5-one
CID 6534113
2-[2-(4-chlorophenyl)ethenyl]-4-(2-methyl-3-phenylprop-2-enylidene)-1,3-oxazol-5-one
CID 5058680
2-[2-(4-chlorophenyl)ethenyl]-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5-one
CID 5011360
2-[2-(4-chlorophenyl)ethenyl]-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 5011359
(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one
CID 6260137
4-[(4-chlorophenyl)methylidene]-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-one
CID 4202958
(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 6072081
(4Z)-4-[(4-methylphenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 6143864
4-benzylidene-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one
CID 5056373
2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one
CID 136665622
2-[2-(2,4-dichlorophenyl)ethenyl]-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one
CID 5195703
(4Z)-4-[[4-[2-chloroethyl(methyl)amino]phenyl]methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 5431461

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one (CID 6390810) is (4Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is O=C1OC(/C=C/c2ccc(Cl)cc2)=N/C1=C\C=C\c1ccccc1.
What is the InChIKey of (4Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The InChIKey is XZHKAQIJFWMXMB-PBFDEZFCSA-N. The full InChI is InChI=1S/C20H14ClNO2/c21-17-12-9-16(10-13-17)11-14-19-22-18(20(23)24-19)8-4-7-15-5-2-1-3-6-15/h1-14H/b7-4+,14-11+,18-8-.
What are the key properties of (4Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
(4Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one has a molecular weight of 335.79 g/mol, XLogP of 4.91, 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-(4-chlorophenyl)ethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 6390810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).