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

C14H14FNO2 — CID 155424545

IUPAC(4Z)-2-butyl-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
SMILESCCCCC1=N/C(=C\c2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C14H14FNO2/c1-2-3-4-13-16-12(14(17)18-13)9-10-5-7-11(15)8-6-10/h5-9H,2-4H2,1H3/b12-9-
InChIKeyAQGWKICIMYRMOE-XFXZXTDPSA-N
MW247.27 g/mol
LogP3.31
Rot. Bonds4

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

(4Z)-2-butyl-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 155424545) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is (4Z)-2-butyl-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-butyl-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
PubChem CID155424545
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name(4Z)-2-butyl-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
SMILESCCCCC1=N/C(=C\c2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C14H14FNO2/c1-2-3-4-13-16-12(14(17)18-13)9-10-5-7-11(15)8-6-10/h5-9H,2-4H2,1H3/b12-9-
InChIKeyAQGWKICIMYRMOE-XFXZXTDPSA-N
XLogP3.31
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4Z)-2-butyl-4-[(4-fluorophenyl)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

2-hexyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one
CID 163165382
2-decyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one
CID 163139294
(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CID 2306688
(4E)-2-[2-(4-fluorophenyl)ethyl]-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108936270
(4E)-4-benzylidene-2-[2-(3-fluorophenyl)ethyl]-1,3-oxazol-5-one
CID 108935994
(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-one
CID 108937570
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(2-methylphenyl)ethyl]-1,3-oxazol-5-one
CID 108936444
(4E)-2-[2-(3-fluorophenyl)ethyl]-4-[(4-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108937091
(4Z)-2-(4-butylphenyl)-4-[(3-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 6277820
(4E)-4-[(3-fluoro-4-methoxyphenyl)methylidene]-2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-one
CID 108937130
(4E)-4-[(2-butoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 2199088
(4E)-4-[(4-chlorophenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1,3-oxazol-5-one
CID 108936396

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-butyl-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-butyl-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one (CID 155424545) is (4Z)-2-butyl-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-butyl-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-butyl-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one is CCCCC1=N/C(=C\c2ccc(F)cc2)C(=O)O1.
What is the InChIKey of (4Z)-2-butyl-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is AQGWKICIMYRMOE-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-2-3-4-13-16-12(14(17)18-13)9-10-5-7-11(15)8-6-10/h5-9H,2-4H2,1H3/b12-9-.
What are the key properties of (4Z)-2-butyl-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-butyl-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 247.27 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-butyl-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 155424545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).