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

C20H17NO2 — CID 92965703

IUPAC(4Z)-2-(3,4-dimethylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
SMILESCc1ccc(C2=N/C(=C\C=C\c3ccccc3)C(=O)O2)cc1C
InChIInChI=1S/C20H17NO2/c1-14-11-12-17(13-15(14)2)19-21-18(20(22)23-19)10-6-9-16-7-4-3-5-8-16/h3-13H,1-2H3/b9-6+,18-10-
InChIKeyCXGLBJIGSVVOQL-CVCOPPNTSA-N
MW303.36 g/mol
LogP4.20
Rot. Bonds3

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

(4Z)-2-(3,4-dimethylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one (PubChem CID 92965703) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is (4Z)-2-(3,4-dimethylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(3,4-dimethylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
PubChem CID92965703
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name(4Z)-2-(3,4-dimethylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
SMILESCc1ccc(C2=N/C(=C\C=C\c3ccccc3)C(=O)O2)cc1C
InChIInChI=1S/C20H17NO2/c1-14-11-12-17(13-15(14)2)19-21-18(20(22)23-19)10-6-9-16-7-4-3-5-8-16/h3-13H,1-2H3/b9-6+,18-10-
InChIKeyCXGLBJIGSVVOQL-CVCOPPNTSA-N
XLogP4.20
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.20
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-(3,4-dimethylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(3,4-dimethylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one (CID 92965703) is (4Z)-2-(3,4-dimethylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(3,4-dimethylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(3,4-dimethylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is Cc1ccc(C2=N/C(=C\C=C\c3ccccc3)C(=O)O2)cc1C.
What is the InChIKey of (4Z)-2-(3,4-dimethylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The InChIKey is CXGLBJIGSVVOQL-CVCOPPNTSA-N. The full InChI is InChI=1S/C20H17NO2/c1-14-11-12-17(13-15(14)2)19-21-18(20(22)23-19)10-6-9-16-7-4-3-5-8-16/h3-13H,1-2H3/b9-6+,18-10-.
What are the key properties of (4Z)-2-(3,4-dimethylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
(4Z)-2-(3,4-dimethylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one has a molecular weight of 303.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(3,4-dimethylphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 92965703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).