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

C20H19FN2O2 — CID 806033

IUPAC(4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
SMILESCCN(CC)c1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1
InChIInChI=1S/C20H19FN2O2/c1-3-23(4-2)17-11-5-14(6-12-17)13-18-20(24)25-19(22-18)15-7-9-16(21)10-8-15/h5-13H,3-4H2,1-2H3/b18-13+
InChIKeyKTPMFHCBVYQNGN-QGOAFFKASA-N
MW338.38 g/mol
LogP4.02
Rot. Bonds5

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

(4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one (PubChem CID 806033) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is (4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
PubChem CID806033
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name(4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
SMILESCCN(CC)c1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1
InChIInChI=1S/C20H19FN2O2/c1-3-23(4-2)17-11-5-14(6-12-17)13-18-20(24)25-19(22-18)15-7-9-16(21)10-8-15/h5-13H,3-4H2,1-2H3/b18-13+
InChIKeyKTPMFHCBVYQNGN-QGOAFFKASA-N
XLogP4.02
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.02
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
4-(4-Diethylamino-benzylidene)-2-phenyl-4H-oxazol-5-one
CID 708358
(4E)-2-(4-fluorophenyl)-4-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-1,3-oxazol-5-one
CID 2557934
(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-(4-fluorophenyl)-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one (CID 806033) is (4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one is CCN(CC)c1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1.
What is the InChIKey of (4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one?
The InChIKey is KTPMFHCBVYQNGN-QGOAFFKASA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-3-23(4-2)17-11-5-14(6-12-17)13-18-20(24)25-19(22-18)15-7-9-16(21)10-8-15/h5-13H,3-4H2,1-2H3/b18-13+.
What are the key properties of (4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one?
(4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one has a molecular weight of 338.38 g/mol, XLogP of 4.02, 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-(4-fluorophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 806033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).