(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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Related Compounds

3-[[4-(Dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one
CID 284644
(4E)-2-(4-fluorophenyl)-4-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-1,3-oxazol-5-one
CID 2557934
(4Z)-2-tert-butyl-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxazolone
CID 6021744
(4E)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 71583980
(4z)-4-[4-(Dimethylamino)benzylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4h)-one
CID 746808
5(4H)-Oxazolone, 4-[[4-(dimethylamino)phenyl]methylene]-2-phenyl-
CID 791549
4-[4-(dimethylamino)benzylidene]-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one
CID 695983
(3Z)-3-{[4-(Dimethylamino)phenyl]methylidene}-5-phenyl-2,3-dihydrofuran-2-one
CID 5345692
2-Oxazolin-5-one, 4-[p-(dimethylamino)benzylidene]-2-phenyl-
CID 791548
Zinc02878937
CID 2230972
2-Oxazolin-5-one, 4-(p-((2-chloroethyl)(2-fluoroethyl)amino)benzylidene)-2-phenyl-
CID 6438256
4-{[4-(Dimethylamino)phenyl]methylene}-2-(4-fluorophenyl)-1,3-oxazolin-5-one
CID 722568

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).