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

C19H18N2O2 — CID 2243721

IUPAC(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
SMILESCc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1
InChIInChI=1S/C19H18N2O2/c1-13-4-8-15(9-5-13)18-20-17(19(22)23-18)12-14-6-10-16(11-7-14)21(2)3/h4-12H,1-3H3/b17-12+
InChIKeyOHYANXFRLWWXKU-SFQUDFHCSA-N
MW306.37 g/mol
LogP3.41
Rot. Bonds3

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

(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one (PubChem CID 2243721) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
PubChem CID2243721
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
SMILESCc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1
InChIInChI=1S/C19H18N2O2/c1-13-4-8-15(9-5-13)18-20-17(19(22)23-18)12-14-6-10-16(11-7-14)21(2)3/h4-12H,1-3H3/b17-12+
InChIKeyOHYANXFRLWWXKU-SFQUDFHCSA-N
XLogP3.41
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.41
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-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one (CID 2243721) is (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one is Cc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1.
What is the InChIKey of (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one?
The InChIKey is OHYANXFRLWWXKU-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-4-8-15(9-5-13)18-20-17(19(22)23-18)12-14-6-10-16(11-7-14)21(2)3/h4-12H,1-3H3/b17-12+.
What are the key properties of (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one?
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one has a molecular weight of 306.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 2243721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).