N-[[(5S)-3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C13H16N2O3S — CID 14011274

IUPACN-[[(5S)-3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCSc1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1
InChIInChI=1S/C13H16N2O3S/c1-9(16)14-7-11-8-15(13(17)18-11)10-3-5-12(19-2)6-4-10/h3-6,11H,7-8H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyZDNUAEUKCFIECT-NSHDSACASA-N
MW280.35 g/mol
LogP1.87
Rot. Bonds4

About N-[[(5S)-3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 14011274) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[[(5S)-3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID14011274
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-[[(5S)-3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCSc1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1
InChIInChI=1S/C13H16N2O3S/c1-9(16)14-7-11-8-15(13(17)18-11)10-3-5-12(19-2)6-4-10/h3-6,11H,7-8H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyZDNUAEUKCFIECT-NSHDSACASA-N
XLogP1.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(5S)-3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide 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 N-[[(5S)-3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 14011274) is N-[[(5S)-3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CSc1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1.
What is the InChIKey of N-[[(5S)-3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is ZDNUAEUKCFIECT-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-9(16)14-7-11-8-15(13(17)18-11)10-3-5-12(19-2)6-4-10/h3-6,11H,7-8H2,1-2H3,(H,14,16)/t11-/m0/s1.
What are the key properties of N-[[(5S)-3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 280.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 14011274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).