(5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-methylimino-1,3-oxazolidin-4-one

C16H21N3O2 — CID 138738457

IUPAC(5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-methylimino-1,3-oxazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccc(N(C)C)c(C)c2)O/C1=N\C
InChIInChI=1S/C16H21N3O2/c1-6-19-15(20)14(21-16(19)17-3)10-12-7-8-13(18(4)5)11(2)9-12/h7-10H,6H2,1-5H3/b14-10+,17-16-
InChIKeyUALXEJUHZPCSNT-CRPPYINASA-N
MW287.36 g/mol
LogP2.27
Rot. Bonds3

About (5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-methylimino-1,3-oxazolidin-4-one

(5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-methylimino-1,3-oxazolidin-4-one (PubChem CID 138738457) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-methylimino-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-methylimino-1,3-oxazolidin-4-one
PubChem CID138738457
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-methylimino-1,3-oxazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccc(N(C)C)c(C)c2)O/C1=N\C
InChIInChI=1S/C16H21N3O2/c1-6-19-15(20)14(21-16(19)17-3)10-12-7-8-13(18(4)5)11(2)9-12/h7-10H,6H2,1-5H3/b14-10+,17-16-
InChIKeyUALXEJUHZPCSNT-CRPPYINASA-N
XLogP2.27
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.27
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 58711482
5-(1,3-benzodioxol-5-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 889118
(5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-propylimino-1,3-oxazolidin-4-one
CID 59672435
(5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one
CID 58958967
3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one
CID 76574452
(5E)-2-cyclohexylimino-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1,3-oxazolidin-4-one
CID 59297361
(5E)-5-[[4-(dimethylamino)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-oxazolidine-3-carbaldehyde
CID 87199444
(5E)-5-[[4-(dimethylamino)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-oxazolidine-3-carboxylic acid
CID 59869601
(5E)-3-ethyl-5-[(9-oxofluoren-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
CID 2187239
(2E)-7-amino-2-benzylidene-4-ethyl-1,4-benzoxazin-3-one
CID 28862928
(2E)-6-amino-2-benzylidene-4-ethyl-1,4-benzoxazin-3-one
CID 28863092
(2Z,5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-2-ethoxyimino-3-ethyl-1,3-oxazolidin-4-one
CID 154554074

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-methylimino-1,3-oxazolidin-4-one?
The IUPAC name of (5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-methylimino-1,3-oxazolidin-4-one (CID 138738457) is (5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-methylimino-1,3-oxazolidin-4-one.
What is the SMILES notation for (5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-methylimino-1,3-oxazolidin-4-one?
The canonical SMILES for (5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-methylimino-1,3-oxazolidin-4-one is CCN1C(=O)/C(=C\c2ccc(N(C)C)c(C)c2)O/C1=N\C.
What is the InChIKey of (5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-methylimino-1,3-oxazolidin-4-one?
The InChIKey is UALXEJUHZPCSNT-CRPPYINASA-N. The full InChI is InChI=1S/C16H21N3O2/c1-6-19-15(20)14(21-16(19)17-3)10-12-7-8-13(18(4)5)11(2)9-12/h7-10H,6H2,1-5H3/b14-10+,17-16-.
What are the key properties of (5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-methylimino-1,3-oxazolidin-4-one?
(5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-methylimino-1,3-oxazolidin-4-one has a molecular weight of 287.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-methylimino-1,3-oxazolidin-4-one is sourced from PubChem (CID 138738457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).