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

C15H8F3NO3 — CID 6058339

IUPAC(4E)-2-(furan-2-yl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=N/C1=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H8F3NO3/c16-15(17,18)10-4-1-3-9(7-10)8-11-14(20)22-13(19-11)12-5-2-6-21-12/h1-8H/b11-8+
InChIKeyLRJGBYAXXLHCNQ-DHZHZOJOSA-N
MW307.23 g/mol
LogP3.64
Rot. Bonds2

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

(4E)-2-(furan-2-yl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 6058339) has the molecular formula C15H8F3NO3 and a molecular weight of 307.23 g/mol. Its IUPAC name is (4E)-2-(furan-2-yl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-(furan-2-yl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
PubChem CID6058339
Molecular FormulaC15H8F3NO3
Molecular Weight307.23 g/mol
Exact Mass307.05
IUPAC Name(4E)-2-(furan-2-yl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=N/C1=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H8F3NO3/c16-15(17,18)10-4-1-3-9(7-10)8-11-14(20)22-13(19-11)12-5-2-6-21-12/h1-8H/b11-8+
InChIKeyLRJGBYAXXLHCNQ-DHZHZOJOSA-N
XLogP3.64
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 53.64
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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Frequently Asked Questions

What is the IUPAC name of (4E)-2-(furan-2-yl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-(furan-2-yl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one (CID 6058339) is (4E)-2-(furan-2-yl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-(furan-2-yl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-(furan-2-yl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one is O=C1OC(c2ccco2)=N/C1=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of (4E)-2-(furan-2-yl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is LRJGBYAXXLHCNQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H8F3NO3/c16-15(17,18)10-4-1-3-9(7-10)8-11-14(20)22-13(19-11)12-5-2-6-21-12/h1-8H/b11-8+.
What are the key properties of (4E)-2-(furan-2-yl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one?
(4E)-2-(furan-2-yl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 307.23 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(furan-2-yl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 6058339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).