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

C14H8FNO3 — CID 6108753

IUPAC(4E)-4-[(2-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=N/C1=C/c1ccccc1F
InChIInChI=1S/C14H8FNO3/c15-10-5-2-1-4-9(10)8-11-14(17)19-13(16-11)12-6-3-7-18-12/h1-8H/b11-8+
InChIKeyBMFYXQRDFWTBOY-DHZHZOJOSA-N
MW257.22 g/mol
LogP2.76
Rot. Bonds2

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

(4E)-4-[(2-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one (PubChem CID 6108753) has the molecular formula C14H8FNO3 and a molecular weight of 257.22 g/mol. Its IUPAC name is (4E)-4-[(2-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(2-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
PubChem CID6108753
Molecular FormulaC14H8FNO3
Molecular Weight257.22 g/mol
Exact Mass257.05
IUPAC Name(4E)-4-[(2-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=N/C1=C/c1ccccc1F
InChIInChI=1S/C14H8FNO3/c15-10-5-2-1-4-9(10)8-11-14(17)19-13(16-11)12-6-3-7-18-12/h1-8H/b11-8+
InChIKeyBMFYXQRDFWTBOY-DHZHZOJOSA-N
XLogP2.76
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 5410709
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CID 740485
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CID 1227448
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CID 6952358
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CID 1712959
CID 1712959
CID 5894074
CID 5894074
CID 1556806
CID 1556806
CID 740045
CID 740045
CID 740049
CID 740049
CID 806026
CID 806026
CID 867063
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CID 1556807
CID 1556807

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(2-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[(2-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one (CID 6108753) is (4E)-4-[(2-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[(2-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[(2-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is O=C1OC(c2ccco2)=N/C1=C/c1ccccc1F.
What is the InChIKey of (4E)-4-[(2-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The InChIKey is BMFYXQRDFWTBOY-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H8FNO3/c15-10-5-2-1-4-9(10)8-11-14(17)19-13(16-11)12-6-3-7-18-12/h1-8H/b11-8+.
What are the key properties of (4E)-4-[(2-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
(4E)-4-[(2-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one has a molecular weight of 257.22 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(2-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is sourced from PubChem (CID 6108753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).