(4E)-2-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one

C20H19NO2 — CID 5393841

IUPAC(4E)-2-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccc(C2=N/C(=C/c3ccc(C(C)C)cc3)C(=O)O2)cc1
InChIInChI=1S/C20H19NO2/c1-13(2)16-10-6-15(7-11-16)12-18-20(22)23-19(21-18)17-8-4-14(3)5-9-17/h4-13H,1-3H3/b18-12+
InChIKeyMWEIAAWFSNZHML-LDADJPATSA-N
MW305.38 g/mol
LogP4.46
Rot. Bonds3

About (4E)-2-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one

(4E)-2-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 5393841) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (4E)-2-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID5393841
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(4E)-2-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccc(C2=N/C(=C/c3ccc(C(C)C)cc3)C(=O)O2)cc1
InChIInChI=1S/C20H19NO2/c1-13(2)16-10-6-15(7-11-16)12-18-20(22)23-19(21-18)17-8-4-14(3)5-9-17/h4-13H,1-3H3/b18-12+
InChIKeyMWEIAAWFSNZHML-LDADJPATSA-N
XLogP4.46
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.46
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

Oxazolone
CID 1712094
(E)-4-(ethoxymethylene)-2-phenyloxazol-5(4H)-one
CID 1712093
4-Isopropylidene-2-phenyl-5(4H)-oxazole
CID 225481
4-(3-Fluoro-benzylidene)-2-p-tolyl-4H-oxazol-5-one
CID 1733419
2-(4-Fluoro-phenyl)-4-(3-phenyl-allylidene)-4H-oxazol-5-one
CID 1921332
2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5(4H)-one
CID 5384655
2-Oxazolin-5-one, 4-(p-fluorobenzylidene)-2-phenyl-
CID 1550109
2-Phenyl-4-(4-phenylbenzylidene)-2-oxazolin-5-one
CID 690059
5(4H)-Oxazolone, 4,4'-(1,4-phenylenedimethylidyne)bis(2-phenyl-
CID 117622
4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 766247
(4E)-2-(3,4-Dimethylphenyl)-4-(phenylmethylidene)-4,5-dihydro-1,3-oxazol-5-one
CID 6934986
4-(2,5-dimethylbenzylidene)-2-(2-fluorophenyl)-1,3-oxazol-5(4H)-one
CID 813209

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one (CID 5393841) is (4E)-2-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one is Cc1ccc(C2=N/C(=C/c3ccc(C(C)C)cc3)C(=O)O2)cc1.
What is the InChIKey of (4E)-2-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is MWEIAAWFSNZHML-LDADJPATSA-N. The full InChI is InChI=1S/C20H19NO2/c1-13(2)16-10-6-15(7-11-16)12-18-20(22)23-19(21-18)17-8-4-14(3)5-9-17/h4-13H,1-3H3/b18-12+.
What are the key properties of (4E)-2-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one?
(4E)-2-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 305.38 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 5393841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).