4-benzylidene-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one

C19H15NO2 — CID 5056373

IUPAC4-benzylidene-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one
SMILESCc1ccc(C=CC2=NC(=Cc3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C19H15NO2/c1-14-7-9-15(10-8-14)11-12-18-20-17(19(21)22-18)13-16-5-3-2-4-6-16/h2-13H,1H3
InChIKeyGKORDQVIMFEURD-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.00
Rot. Bonds3

About 4-benzylidene-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one

4-benzylidene-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one (PubChem CID 5056373) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-benzylidene-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-benzylidene-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one
PubChem CID5056373
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name4-benzylidene-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one
SMILESCc1ccc(C=CC2=NC(=Cc3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C19H15NO2/c1-14-7-9-15(10-8-14)11-12-18-20-17(19(21)22-18)13-16-5-3-2-4-6-16/h2-13H,1H3
InChIKeyGKORDQVIMFEURD-UHFFFAOYSA-N
XLogP4.00
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.00
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

(4Z)-4-[(4-methylphenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 6143864
(4E)-4-[(4-methoxyphenyl)methylidene]-2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one
CID 6952346
(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 6072081
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 743940
(4E)-4-[(4-methylsulfanylphenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 6368377
N-[4-[(Z)-[5-oxo-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide
CID 6272529
(4E)-4-[(4-ethoxyphenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 6367904
4-benzylidene-2-[2-(4-nitrophenyl)ethenyl]-1,3-oxazol-5-one
CID 3377433
(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5-one
CID 6534113
2-[2-(4-methylphenyl)ethenyl]-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
CID 3256122
(4Z)-4-[[4-[2-chloroethyl(methyl)amino]phenyl]methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 5431461
[3-[[2-[2-(4-methylphenyl)ethenyl]-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
CID 3331268

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one?
The IUPAC name of 4-benzylidene-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one (CID 5056373) is 4-benzylidene-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one.
What is the SMILES notation for 4-benzylidene-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one?
The canonical SMILES for 4-benzylidene-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one is Cc1ccc(C=CC2=NC(=Cc3ccccc3)C(=O)O2)cc1.
What is the InChIKey of 4-benzylidene-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one?
The InChIKey is GKORDQVIMFEURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c1-14-7-9-15(10-8-14)11-12-18-20-17(19(21)22-18)13-16-5-3-2-4-6-16/h2-13H,1H3.
What are the key properties of 4-benzylidene-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one?
4-benzylidene-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one has a molecular weight of 289.33 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one is sourced from PubChem (CID 5056373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).