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

C14H8FNO3 — CID 867063

IUPAC(4E)-4-[(3-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=N/C1=C/c1cccc(F)c1
InChIInChI=1S/C14H8FNO3/c15-10-4-1-3-9(7-10)8-11-14(17)19-13(16-11)12-5-2-6-18-12/h1-8H/b11-8+
InChIKeyXVSMWRABVHKODO-DHZHZOJOSA-N
MW257.22 g/mol
LogP2.76
Rot. Bonds2

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

(4E)-4-[(3-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one (PubChem CID 867063) has the molecular formula C14H8FNO3 and a molecular weight of 257.22 g/mol. Its IUPAC name is (4E)-4-[(3-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(3-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
PubChem CID867063
Molecular FormulaC14H8FNO3
Molecular Weight257.22 g/mol
Exact Mass257.05
IUPAC Name(4E)-4-[(3-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=N/C1=C/c1cccc(F)c1
InChIInChI=1S/C14H8FNO3/c15-10-4-1-3-9(7-10)8-11-14(17)19-13(16-11)12-5-2-6-18-12/h1-8H/b11-8+
InChIKeyXVSMWRABVHKODO-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

(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)-2-(furan-2-yl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 1227448
(4E)-4-(2-furylmethylene)-2-[(E)-2-phenylvinyl]-1,3-oxazol-5(4H)-one
CID 6952358
(4Z)-4-[(Furan-2-YL)methylidene]-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one
CID 1712959
(4Z)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 5894074
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
2-(2-fluorophenyl)-4-(2-furylmethylene)-1,3-oxazol-5(4H)-one
CID 1713659
(4Z)-4-(3,4-dichlorobenzylidene)-2-(2-furyl)-1,3-oxazol-5(4H)-one
CID 5351262

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(3-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[(3-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one (CID 867063) is (4E)-4-[(3-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[(3-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[(3-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is O=C1OC(c2ccco2)=N/C1=C/c1cccc(F)c1.
What is the InChIKey of (4E)-4-[(3-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The InChIKey is XVSMWRABVHKODO-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H8FNO3/c15-10-4-1-3-9(7-10)8-11-14(17)19-13(16-11)12-5-2-6-18-12/h1-8H/b11-8+.
What are the key properties of (4E)-4-[(3-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
(4E)-4-[(3-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-[(3-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is sourced from PubChem (CID 867063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).