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

C18H14FNO3 — CID 745516

IUPAC(4Z)-4-[(4-ethoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
SMILESCCOc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1
InChIInChI=1S/C18H14FNO3/c1-2-22-13-9-7-12(8-10-13)11-16-18(21)23-17(20-16)14-5-3-4-6-15(14)19/h3-11H,2H2,1H3/b16-11-
InChIKeyPNNUBWKIHOHFFY-WJDWOHSUSA-N
MW311.31 g/mol
LogP3.57
Rot. Bonds4

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

(4Z)-4-[(4-ethoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one (PubChem CID 745516) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is (4Z)-4-[(4-ethoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(4-ethoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
PubChem CID745516
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name(4Z)-4-[(4-ethoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
SMILESCCOc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1
InChIInChI=1S/C18H14FNO3/c1-2-22-13-9-7-12(8-10-13)11-16-18(21)23-17(20-16)14-5-3-4-6-15(14)19/h3-11H,2H2,1H3/b16-11-
InChIKeyPNNUBWKIHOHFFY-WJDWOHSUSA-N
XLogP3.57
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.57
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 (4Z)-4-[(4-ethoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(4-ethoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one (CID 745516) is (4Z)-4-[(4-ethoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(4-ethoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(4-ethoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one is CCOc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1.
What is the InChIKey of (4Z)-4-[(4-ethoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one?
The InChIKey is PNNUBWKIHOHFFY-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-2-22-13-9-7-12(8-10-13)11-16-18(21)23-17(20-16)14-5-3-4-6-15(14)19/h3-11H,2H2,1H3/b16-11-.
What are the key properties of (4Z)-4-[(4-ethoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one?
(4Z)-4-[(4-ethoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one has a molecular weight of 311.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-ethoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 745516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).