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

C13H9NO4 — CID 832140

IUPAC(4E)-2-(furan-2-yl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccc(/C=C2/N=C(c3ccco3)OC2=O)o1
InChIInChI=1S/C13H9NO4/c1-8-4-5-9(17-8)7-10-13(15)18-12(14-10)11-3-2-6-16-11/h2-7H,1H3/b10-7+
InChIKeyVXAWKFMMZOBHAN-JXMROGBWSA-N
MW243.22 g/mol
LogP2.53
Rot. Bonds2

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

(4E)-2-(furan-2-yl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one (PubChem CID 832140) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is (4E)-2-(furan-2-yl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-(furan-2-yl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
PubChem CID832140
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name(4E)-2-(furan-2-yl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccc(/C=C2/N=C(c3ccco3)OC2=O)o1
InChIInChI=1S/C13H9NO4/c1-8-4-5-9(17-8)7-10-13(15)18-12(14-10)11-3-2-6-16-11/h2-7H,1H3/b10-7+
InChIKeyVXAWKFMMZOBHAN-JXMROGBWSA-N
XLogP2.53
TPSA64.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-(furan-2-yl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one (CID 832140) is (4E)-2-(furan-2-yl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-(furan-2-yl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-(furan-2-yl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one is Cc1ccc(/C=C2/N=C(c3ccco3)OC2=O)o1.
What is the InChIKey of (4E)-2-(furan-2-yl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one?
The InChIKey is VXAWKFMMZOBHAN-JXMROGBWSA-N. The full InChI is InChI=1S/C13H9NO4/c1-8-4-5-9(17-8)7-10-13(15)18-12(14-10)11-3-2-6-16-11/h2-7H,1H3/b10-7+.
What are the key properties of (4E)-2-(furan-2-yl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one?
(4E)-2-(furan-2-yl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one has a molecular weight of 243.22 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(furan-2-yl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 832140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).