(4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one

C20H20N2O2 — CID 708358

IUPAC(4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCCN(CC)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C20H20N2O2/c1-3-22(4-2)17-12-10-15(11-13-17)14-18-20(23)24-19(21-18)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3/b18-14+
InChIKeyLEKFXVWEOQBFIN-NBVRZTHBSA-N
MW320.39 g/mol
LogP3.88
Rot. Bonds5

About (4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one

(4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 708358) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID708358
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCCN(CC)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C20H20N2O2/c1-3-22(4-2)17-12-10-15(11-13-17)14-18-20(23)24-19(21-18)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3/b18-14+
InChIKeyLEKFXVWEOQBFIN-NBVRZTHBSA-N
XLogP3.88
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one (CID 708358) is (4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is CCN(CC)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1.
What is the InChIKey of (4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is LEKFXVWEOQBFIN-NBVRZTHBSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-22(4-2)17-12-10-15(11-13-17)14-18-20(23)24-19(21-18)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3/b18-14+.
What are the key properties of (4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
(4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 320.39 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 708358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).