(4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazolidin-5-one

C12H14N2O2 — CID 110273223

IUPAC(4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazolidin-5-one
SMILESCN(C)/C=C1/NC(c2ccccc2)OC1=O
InChIInChI=1S/C12H14N2O2/c1-14(2)8-10-12(15)16-11(13-10)9-6-4-3-5-7-9/h3-8,11,13H,1-2H3/b10-8+
InChIKeyRHNYQISJXJKHMU-CSKARUKUSA-N
MW218.26 g/mol
LogP1.23
Rot. Bonds2

About (4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazolidin-5-one

(4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazolidin-5-one (PubChem CID 110273223) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazolidin-5-one
PubChem CID110273223
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazolidin-5-one
SMILESCN(C)/C=C1/NC(c2ccccc2)OC1=O
InChIInChI=1S/C12H14N2O2/c1-14(2)8-10-12(15)16-11(13-10)9-6-4-3-5-7-9/h3-8,11,13H,1-2H3/b10-8+
InChIKeyRHNYQISJXJKHMU-CSKARUKUSA-N
XLogP1.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazolidin-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-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one
CID 2754378
(2R,4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one
CID 92857050
(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one
CID 70468568
(2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one
CID 777109
2-phenyl-4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-1,3-oxazolidin-5-one
CID 3832882
(2E,6E)-2,6-bis(dimethylaminomethylidene)-4-phenylcyclohexan-1-one
CID 11196878
(3S)-3-phenyloxaziridine
CID 143593965
3-phenyloxaziridine
CID 18523120
2-(dimethylaminomethylidene)-5-phenylcyclohexane-1,3-dione
CID 10890110
6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one
CID 176555493
(2R,4E)-4-benzylidene-2-methyl-1,3-oxazolidin-5-one
CID 92857038
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazolidin-5-one?
The IUPAC name of (4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazolidin-5-one (CID 110273223) is (4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazolidin-5-one.
What is the SMILES notation for (4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazolidin-5-one?
The canonical SMILES for (4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazolidin-5-one is CN(C)/C=C1/NC(c2ccccc2)OC1=O.
What is the InChIKey of (4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazolidin-5-one?
The InChIKey is RHNYQISJXJKHMU-CSKARUKUSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-14(2)8-10-12(15)16-11(13-10)9-6-4-3-5-7-9/h3-8,11,13H,1-2H3/b10-8+.
What are the key properties of (4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazolidin-5-one?
(4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazolidin-5-one has a molecular weight of 218.26 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 110273223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).