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

C15H18N2O2S — CID 58711482

IUPAC(5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccc(N(C)C)c(C)c2)OC1=S
InChIInChI=1S/C15H18N2O2S/c1-5-17-14(18)13(19-15(17)20)9-11-6-7-12(16(3)4)10(2)8-11/h6-9H,5H2,1-4H3/b13-9+
InChIKeyOHUQMVRACZGOOR-UKTHLTGXSA-N
MW290.39 g/mol
LogP2.57
Rot. Bonds3

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

(5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one (PubChem CID 58711482) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one
PubChem CID58711482
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccc(N(C)C)c(C)c2)OC1=S
InChIInChI=1S/C15H18N2O2S/c1-5-17-14(18)13(19-15(17)20)9-11-6-7-12(16(3)4)10(2)8-11/h6-9H,5H2,1-4H3/b13-9+
InChIKeyOHUQMVRACZGOOR-UKTHLTGXSA-N
XLogP2.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.57
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The IUPAC name of (5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one (CID 58711482) is (5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one.
What is the SMILES notation for (5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The canonical SMILES for (5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one is CCN1C(=O)/C(=C\c2ccc(N(C)C)c(C)c2)OC1=S.
What is the InChIKey of (5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The InChIKey is OHUQMVRACZGOOR-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-5-17-14(18)13(19-15(17)20)9-11-6-7-12(16(3)4)10(2)8-11/h6-9H,5H2,1-4H3/b13-9+.
What are the key properties of (5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one?
(5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one has a molecular weight of 290.39 g/mol, XLogP of 2.57, 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-sulfanylidene-1,3-oxazolidin-4-one is sourced from PubChem (CID 58711482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).