(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'}

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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).