(4R)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one

C10H11NO2S — CID 11992676

IUPAC(4R)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCSN1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C10H11NO2S/c1-14-11-9(7-13-10(11)12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-/m0/s1
InChIKeyRBGYERCOKDHRIC-VIFPVBQESA-N
MW209.27 g/mol
LogP2.46
Rot. Bonds2

About (4R)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 11992676) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is (4R)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID11992676
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name(4R)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCSN1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C10H11NO2S/c1-14-11-9(7-13-10(11)12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-/m0/s1
InChIKeyRBGYERCOKDHRIC-VIFPVBQESA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one (CID 11992676) is (4R)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one is CSN1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is RBGYERCOKDHRIC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11NO2S/c1-14-11-9(7-13-10(11)12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-/m0/s1.
What are the key properties of (4R)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 209.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11992676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).