(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one

C18H16N2O2 — CID 791549

IUPAC(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCN(C)c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C18H16N2O2/c1-20(2)15-10-8-13(9-11-15)12-16-18(21)22-17(19-16)14-6-4-3-5-7-14/h3-12H,1-2H3/b16-12-
InChIKeyGVIKVHOLUBDIRH-VBKFSLOCSA-N
MW292.34 g/mol
LogP3.10
Rot. Bonds3

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

(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 791549) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID791549
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCN(C)c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C18H16N2O2/c1-20(2)15-10-8-13(9-11-15)12-16-18(21)22-17(19-16)14-6-4-3-5-7-14/h3-12H,1-2H3/b16-12-
InChIKeyGVIKVHOLUBDIRH-VBKFSLOCSA-N
XLogP3.10
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.10
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'}

Analyze (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-Nitrobenzylidene)-2-phenyl-2-oxazolin-5-one
CID 1549989
3-[[4-(Dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one
CID 284644
4-(4-Diethylamino-benzylidene)-2-phenyl-4H-oxazol-5-one
CID 708358
4-[4-(dimethylamino)benzylidene]-2-methyl-1,3-oxazol-5(4H)-one
CID 5388458
5(4H)-Oxazolone, 4-[(4-nitrophenyl)methylene]-2-phenyl-
CID 230001
(Z)-4-(4-Nitrobenzylidene)-2-phenyloxazol-5(4H)-one
CID 1549990
(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
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

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one (CID 791549) is (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is CN(C)c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1.
What is the InChIKey of (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is GVIKVHOLUBDIRH-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-20(2)15-10-8-13(9-11-15)12-16-18(21)22-17(19-16)14-6-4-3-5-7-14/h3-12H,1-2H3/b16-12-.
What are the key properties of (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 292.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 791549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).