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

C15H11NO3 — CID 6386767

IUPAC(4E)-2-(furan-2-yl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccc(/C=C2/N=C(c3ccco3)OC2=O)cc1
InChIInChI=1S/C15H11NO3/c1-10-4-6-11(7-5-10)9-12-15(17)19-14(16-12)13-3-2-8-18-13/h2-9H,1H3/b12-9+
InChIKeyHEYZAVGUSZTDOL-FMIVXFBMSA-N
MW253.26 g/mol
LogP2.93
Rot. Bonds2

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

(4E)-2-(furan-2-yl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 6386767) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is (4E)-2-(furan-2-yl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-(furan-2-yl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID6386767
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name(4E)-2-(furan-2-yl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccc(/C=C2/N=C(c3ccco3)OC2=O)cc1
InChIInChI=1S/C15H11NO3/c1-10-4-6-11(7-5-10)9-12-15(17)19-14(16-12)13-3-2-8-18-13/h2-9H,1H3/b12-9+
InChIKeyHEYZAVGUSZTDOL-FMIVXFBMSA-N
XLogP2.93
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.93
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-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-(furan-2-yl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one (CID 6386767) is (4E)-2-(furan-2-yl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-(furan-2-yl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-(furan-2-yl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one is Cc1ccc(/C=C2/N=C(c3ccco3)OC2=O)cc1.
What is the InChIKey of (4E)-2-(furan-2-yl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is HEYZAVGUSZTDOL-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H11NO3/c1-10-4-6-11(7-5-10)9-12-15(17)19-14(16-12)13-3-2-8-18-13/h2-9H,1H3/b12-9+.
What are the key properties of (4E)-2-(furan-2-yl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
(4E)-2-(furan-2-yl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 253.26 g/mol, XLogP of 2.93, 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-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 6386767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).