(4E)-4-(ethoxymethylidene)-2-(furan-2-yl)-1,3-oxazol-5-one

C10H9NO4 — CID 3036175

IUPAC(4E)-4-(ethoxymethylidene)-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESCCO/C=C1/N=C(c2ccco2)OC1=O
InChIInChI=1S/C10H9NO4/c1-2-13-6-7-10(12)15-9(11-7)8-4-3-5-14-8/h3-6H,2H2,1H3/b7-6+
InChIKeyFBUXYCJTSXXWBJ-VOTSOKGWSA-N
MW207.19 g/mol
LogP1.46
Rot. Bonds3

About (4E)-4-(ethoxymethylidene)-2-(furan-2-yl)-1,3-oxazol-5-one

(4E)-4-(ethoxymethylidene)-2-(furan-2-yl)-1,3-oxazol-5-one (PubChem CID 3036175) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is (4E)-4-(ethoxymethylidene)-2-(furan-2-yl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-(ethoxymethylidene)-2-(furan-2-yl)-1,3-oxazol-5-one
PubChem CID3036175
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name(4E)-4-(ethoxymethylidene)-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESCCO/C=C1/N=C(c2ccco2)OC1=O
InChIInChI=1S/C10H9NO4/c1-2-13-6-7-10(12)15-9(11-7)8-4-3-5-14-8/h3-6H,2H2,1H3/b7-6+
InChIKeyFBUXYCJTSXXWBJ-VOTSOKGWSA-N
XLogP1.46
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-(2-Furylmethylene)-2-methyl-1,3-oxazol-5(4H)-one
CID 1550242
2,4-Bis(furan-2-yl)-1,3-oxazin-6-one
CID 3718000
(4E)-4-[(3-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 867063
(4E)-2-(furan-2-yl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 6058339
(4E)-4-[(2-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 6108753
(4E)-4-[(4-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 92142177
5-(Furan-2-yl)-1,3,4-oxathiazol-2-one
CID 325598
2-(2-Furyl)-2-oxazoline
CID 11332502
4-(Ethoxymethylene)-2-(2-furanyl)-5(4H)-oxazolone
CID 133509
5-(Fluoromethyl)-2-(furan-2-yl)-4,5-dihydro-1,3-oxazole
CID 138964472
(4E)-4-[(2-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 867057
2-(5-Bromo(2-furyl))-4-(2-furylmethylene)-1,3-oxazolin-5-one
CID 5409061

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(ethoxymethylidene)-2-(furan-2-yl)-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-(ethoxymethylidene)-2-(furan-2-yl)-1,3-oxazol-5-one (CID 3036175) is (4E)-4-(ethoxymethylidene)-2-(furan-2-yl)-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-(ethoxymethylidene)-2-(furan-2-yl)-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-(ethoxymethylidene)-2-(furan-2-yl)-1,3-oxazol-5-one is CCO/C=C1/N=C(c2ccco2)OC1=O.
What is the InChIKey of (4E)-4-(ethoxymethylidene)-2-(furan-2-yl)-1,3-oxazol-5-one?
The InChIKey is FBUXYCJTSXXWBJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H9NO4/c1-2-13-6-7-10(12)15-9(11-7)8-4-3-5-14-8/h3-6H,2H2,1H3/b7-6+.
What are the key properties of (4E)-4-(ethoxymethylidene)-2-(furan-2-yl)-1,3-oxazol-5-one?
(4E)-4-(ethoxymethylidene)-2-(furan-2-yl)-1,3-oxazol-5-one has a molecular weight of 207.19 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(ethoxymethylidene)-2-(furan-2-yl)-1,3-oxazol-5-one is sourced from PubChem (CID 3036175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).