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

C15H17NO5S — CID 72562648

IUPAC3-ethyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazolidin-4-one
SMILESCCN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)OC1=S
InChIInChI=1S/C15H17NO5S/c1-5-16-14(17)12(21-15(16)22)8-9-6-10(18-2)13(20-4)11(7-9)19-3/h6-8H,5H2,1-4H3
InChIKeyWVHOUVFAJMKZFN-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.22
Rot. Bonds5

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

3-ethyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazolidin-4-one (PubChem CID 72562648) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-ethyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazolidin-4-one
PubChem CID72562648
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Name3-ethyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazolidin-4-one
SMILESCCN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)OC1=S
InChIInChI=1S/C15H17NO5S/c1-5-16-14(17)12(21-15(16)22)8-9-6-10(18-2)13(20-4)11(7-9)19-3/h6-8H,5H2,1-4H3
InChIKeyWVHOUVFAJMKZFN-UHFFFAOYSA-N
XLogP2.22
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-ethyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazolidin-4-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

(5Z)-5-[[5-(2,4-dimethoxyphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 118375320
5-(1,3-benzodioxol-5-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 889118
(5Z)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 126039188
3-(2-methoxyethyl)-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 2913769
(5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 58711482
(5E)-3-ethyl-5-[(9-oxofluoren-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
CID 2187239
(5E)-3-[2-(2,4-dimethoxyphenyl)ethyl]-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
CID 58785606
(5E)-1-methyl-3-prop-2-enyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one
CID 99899328
(5Z)-3-ethyl-5-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126012566
5-[(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3309417
5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1331762
(5Z)-3-(hydroxymethyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1240601

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazolidin-4-one?
The IUPAC name of 3-ethyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazolidin-4-one (CID 72562648) is 3-ethyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazolidin-4-one.
What is the SMILES notation for 3-ethyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazolidin-4-one?
The canonical SMILES for 3-ethyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazolidin-4-one is CCN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)OC1=S.
What is the InChIKey of 3-ethyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazolidin-4-one?
The InChIKey is WVHOUVFAJMKZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S/c1-5-16-14(17)12(21-15(16)22)8-9-6-10(18-2)13(20-4)11(7-9)19-3/h6-8H,5H2,1-4H3.
What are the key properties of 3-ethyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazolidin-4-one?
3-ethyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazolidin-4-one has a molecular weight of 323.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazolidin-4-one is sourced from PubChem (CID 72562648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).