(5R)-5-(4-methoxyphenyl)-1,3-oxazolidine-2-thione

Details

• Internal ID: 09a7787f-4149-4388-be61-7913a01d6d8b
• Taxonomy: Benzenoids > Phenol ethers > Anisoles
• IUPAC Name: (5R)-5-(4-methoxyphenyl)-1,3-oxazolidine-2-thione
• SMILES (Canonical): COC1=CC=C(C=C1)C2CNC(=S)O2
• SMILES (Isomeric): COC1=CC=C(C=C1)[C@@H]2CNC(=S)O2
• InChI: InChI=1S/C10H11NO2S/c1-12-8-4-2-7(3-5-8)9-6-11-10(14)13-9/h2-5,9H,6H2,1H3,(H,11,14)/t9-/m0/s1
• InChI Key: ZINZVEYXHGBFCB-VIFPVBQESA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₁NO₂S
• Molecular Weight: 209.27 g/mol
• Exact Mass: 209.05104977 g/mol
• Topological Polar Surface Area (TPSA): 62.60 Ų
• XlogP: 1.80

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3137262	O60341	LSD1/CoREST complex	96.49%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.20%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.68%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.95%	94.45%
CHEMBL4208	P20618	Proteasome component C5	87.42%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.87%	95.56%
CHEMBL4349	Q02083	N-acylsphingosine-amidohydrolase	82.99%	93.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.44%	95.89%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.28%	94.00%

Plants that contains it

• Arabis hirsuta

Cross-Links

• PubChem: 163032364
• LOTUS: LTS0078091
• wikiData: Q105377377