(4Z)-2-tert-butyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one

C16H19NO3 — CID 17466219

IUPAC(4Z)-2-tert-butyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCCOc1ccc(/C=C2\N=C(C(C)(C)C)OC2=O)cc1
InChIInChI=1S/C16H19NO3/c1-5-19-12-8-6-11(7-9-12)10-13-14(18)20-15(17-13)16(2,3)4/h6-10H,5H2,1-4H3/b13-10-
InChIKeyZVTKNIISSRXRBT-RAXLEYEMSA-N
MW273.33 g/mol
LogP3.43
Rot. Bonds3

About (4Z)-2-tert-butyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one

(4Z)-2-tert-butyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 17466219) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (4Z)-2-tert-butyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-tert-butyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID17466219
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(4Z)-2-tert-butyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCCOc1ccc(/C=C2\N=C(C(C)(C)C)OC2=O)cc1
InChIInChI=1S/C16H19NO3/c1-5-19-12-8-6-11(7-9-12)10-13-14(18)20-15(17-13)16(2,3)4/h6-10H,5H2,1-4H3/b13-10-
InChIKeyZVTKNIISSRXRBT-RAXLEYEMSA-N
XLogP3.43
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4Z)-2-tert-butyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 740848
(4E)-4-[(4-ethoxyphenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 6367904
(4E)-2-(2-bromophenyl)-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 1357622
(4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6368562
4-[(4-ethoxyphenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 2896918
(4E)-4-[(4-ethoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one
CID 108936523
4-[(Z)-[2-(4-ethoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate
CID 9313498
(4E)-4-[(4-ethoxyphenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one
CID 6148042
(4E)-2-(5-bromo-3-pyridinyl)-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6040423
ethyl 2-[4-[(E)-(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate
CID 6380447
(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-ethoxyphenyl)-1,3-oxazol-5-one
CID 126015286
(4E)-2-(5-bromo-2-methoxyphenyl)-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6241341

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-tert-butyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-tert-butyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one (CID 17466219) is (4Z)-2-tert-butyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-tert-butyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-tert-butyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one is CCOc1ccc(/C=C2\N=C(C(C)(C)C)OC2=O)cc1.
What is the InChIKey of (4Z)-2-tert-butyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is ZVTKNIISSRXRBT-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H19NO3/c1-5-19-12-8-6-11(7-9-12)10-13-14(18)20-15(17-13)16(2,3)4/h6-10H,5H2,1-4H3/b13-10-.
What are the key properties of (4Z)-2-tert-butyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-tert-butyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 273.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-tert-butyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 17466219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).