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

C14H7BrFNO3 — CID 5399511

IUPAC(4Z)-4-[(5-bromofuran-2-yl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(Br)o1
InChIInChI=1S/C14H7BrFNO3/c15-12-6-5-10(19-12)7-11-14(18)20-13(17-11)8-1-3-9(16)4-2-8/h1-7H/b11-7-
InChIKeyGNCJKJCWVWPRNH-XFFZJAGNSA-N
MW336.12 g/mol
LogP3.53
Rot. Bonds2

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

(4Z)-4-[(5-bromofuran-2-yl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one (PubChem CID 5399511) has the molecular formula C14H7BrFNO3 and a molecular weight of 336.12 g/mol. Its IUPAC name is (4Z)-4-[(5-bromofuran-2-yl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(5-bromofuran-2-yl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
PubChem CID5399511
Molecular FormulaC14H7BrFNO3
Molecular Weight336.12 g/mol
Exact Mass334.96
IUPAC Name(4Z)-4-[(5-bromofuran-2-yl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(Br)o1
InChIInChI=1S/C14H7BrFNO3/c15-12-6-5-10(19-12)7-11-14(18)20-13(17-11)8-1-3-9(16)4-2-8/h1-7H/b11-7-
InChIKeyGNCJKJCWVWPRNH-XFFZJAGNSA-N
XLogP3.53
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.12
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4Z)-4-[(5-bromofuran-2-yl)methylidene]-2-(4-fluorophenyl)-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

(4Z)-2-(4-bromophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 691746
(4Z)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-phenyl-1,3-oxazol-5-one
CID 5410709
(Z)-2-(2-fluorophenyl)-4-((5-methylfuran-2-yl)methylene)oxazol-5(4H)-one
CID 740485
(4Z)-4-[(Furan-2-YL)methylidene]-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one
CID 1712959
4-((5-Methylfuran-2-yl)methylene)-2-(m-tolyl)oxazol-5(4H)-one
CID 5400671
4-(2-Furylmethylene)-2-phenyl-1,3-oxazolin-5-one
CID 1556806
2-(4-Fluorophenyl)-4-(2-furylmethylene)-1,3-oxazol-5(4H)-one
CID 740045
(4Z)-2-(3-Fluorophenyl)-4-[(5-methylfuran-2-YL)methylidene]-4,5-dihydro-1,3-oxazol-5-one
CID 740049
(4Z)-2-(4-fluorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5(4H)-one
CID 806026
(4Z)-4-(furan-2-ylmethylidene)-2-phenyl-1,3-oxazol-5(4H)-one
CID 1556807
2-(2-fluorophenyl)-4-(2-furylmethylene)-1,3-oxazol-5(4H)-one
CID 1713659
2-(3-Fluorophenyl)-4-(2-furylmethylene)-1,3-oxazolin-5-one
CID 5399508

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(5-bromofuran-2-yl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(5-bromofuran-2-yl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one (CID 5399511) is (4Z)-4-[(5-bromofuran-2-yl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(5-bromofuran-2-yl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(5-bromofuran-2-yl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one is O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(Br)o1.
What is the InChIKey of (4Z)-4-[(5-bromofuran-2-yl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one?
The InChIKey is GNCJKJCWVWPRNH-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H7BrFNO3/c15-12-6-5-10(19-12)7-11-14(18)20-13(17-11)8-1-3-9(16)4-2-8/h1-7H/b11-7-.
What are the key properties of (4Z)-4-[(5-bromofuran-2-yl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one?
(4Z)-4-[(5-bromofuran-2-yl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one has a molecular weight of 336.12 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(5-bromofuran-2-yl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 5399511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).