(4S,5S)-4-methyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one

C11H13NO2S — CID 59786579

IUPAC(4S,5S)-4-methyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
SMILESCSc1ccc([C@@H]2OC(=O)N[C@H]2C)cc1
InChIInChI=1S/C11H13NO2S/c1-7-10(14-11(13)12-7)8-3-5-9(15-2)6-4-8/h3-7,10H,1-2H3,(H,12,13)/t7-,10+/m0/s1
InChIKeyGPHHAGUZNOAMDZ-OIBJUYFYSA-N
MW223.30 g/mol
LogP2.58
Rot. Bonds2

About (4S,5S)-4-methyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one

(4S,5S)-4-methyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one (PubChem CID 59786579) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is (4S,5S)-4-methyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-methyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
PubChem CID59786579
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name(4S,5S)-4-methyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
SMILESCSc1ccc([C@@H]2OC(=O)N[C@H]2C)cc1
InChIInChI=1S/C11H13NO2S/c1-7-10(14-11(13)12-7)8-3-5-9(15-2)6-4-8/h3-7,10H,1-2H3,(H,12,13)/t7-,10+/m0/s1
InChIKeyGPHHAGUZNOAMDZ-OIBJUYFYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-methyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4-methyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one (CID 59786579) is (4S,5S)-4-methyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-methyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4-methyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one is CSc1ccc([C@@H]2OC(=O)N[C@H]2C)cc1.
What is the InChIKey of (4S,5S)-4-methyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is GPHHAGUZNOAMDZ-OIBJUYFYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-7-10(14-11(13)12-7)8-3-5-9(15-2)6-4-8/h3-7,10H,1-2H3,(H,12,13)/t7-,10+/m0/s1.
What are the key properties of (4S,5S)-4-methyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one?
(4S,5S)-4-methyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 223.30 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-methyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 59786579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).