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

C15H11NO4 — CID 6373728

IUPAC(4E)-2-(furan-2-yl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCOc1ccc(/C=C2/N=C(c3ccco3)OC2=O)cc1
InChIInChI=1S/C15H11NO4/c1-18-11-6-4-10(5-7-11)9-12-15(17)20-14(16-12)13-3-2-8-19-13/h2-9H,1H3/b12-9+
InChIKeyWLQMUQXKUSXNEJ-FMIVXFBMSA-N
MW269.26 g/mol
LogP2.63
Rot. Bonds3

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

(4E)-2-(furan-2-yl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 6373728) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is (4E)-2-(furan-2-yl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-(furan-2-yl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID6373728
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name(4E)-2-(furan-2-yl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCOc1ccc(/C=C2/N=C(c3ccco3)OC2=O)cc1
InChIInChI=1S/C15H11NO4/c1-18-11-6-4-10(5-7-11)9-12-15(17)20-14(16-12)13-3-2-8-19-13/h2-9H,1H3/b12-9+
InChIKeyWLQMUQXKUSXNEJ-FMIVXFBMSA-N
XLogP2.63
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.63
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-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-(furan-2-yl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one (CID 6373728) is (4E)-2-(furan-2-yl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-(furan-2-yl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-(furan-2-yl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one is COc1ccc(/C=C2/N=C(c3ccco3)OC2=O)cc1.
What is the InChIKey of (4E)-2-(furan-2-yl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is WLQMUQXKUSXNEJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H11NO4/c1-18-11-6-4-10(5-7-11)9-12-15(17)20-14(16-12)13-3-2-8-19-13/h2-9H,1H3/b12-9+.
What are the key properties of (4E)-2-(furan-2-yl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one?
(4E)-2-(furan-2-yl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 269.26 g/mol, XLogP of 2.63, 3 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-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 6373728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).