4-benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one

C11H13NO2S — CID 11992672

IUPAC4-benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one
SMILESCSN1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C11H13NO2S/c1-15-12-10(8-14-11(12)13)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyGUALRTTUMRBKTG-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.33
Rot. Bonds3

About 4-benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one

4-benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one (PubChem CID 11992672) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 4-benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one
PubChem CID11992672
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name4-benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one
SMILESCSN1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C11H13NO2S/c1-15-12-10(8-14-11(12)13)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyGUALRTTUMRBKTG-UHFFFAOYSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one (CID 11992672) is 4-benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one is CSN1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one?
The InChIKey is GUALRTTUMRBKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-15-12-10(8-14-11(12)13)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3.
What are the key properties of 4-benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one?
4-benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one has a molecular weight of 223.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11992672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).