3-[(3S)-3-(2-phenylethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one

C15H19NO3S — CID 134999987

IUPAC3-[(3S)-3-(2-phenylethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](CC(=O)N1CCOC1=O)SCCc1ccccc1
InChIInChI=1S/C15H19NO3S/c1-12(11-14(17)16-8-9-19-15(16)18)20-10-7-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3/t12-/m0/s1
InChIKeyXDKCTJRBWIOASV-LBPRGKRZSA-N
MW293.39 g/mol
LogP2.72
Rot. Bonds6

About 3-[(3S)-3-(2-phenylethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one

3-[(3S)-3-(2-phenylethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one (PubChem CID 134999987) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[(3S)-3-(2-phenylethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-(2-phenylethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one
PubChem CID134999987
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name3-[(3S)-3-(2-phenylethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](CC(=O)N1CCOC1=O)SCCc1ccccc1
InChIInChI=1S/C15H19NO3S/c1-12(11-14(17)16-8-9-19-15(16)18)20-10-7-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3/t12-/m0/s1
InChIKeyXDKCTJRBWIOASV-LBPRGKRZSA-N
XLogP2.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(3S)-3-(2-phenylethylsulfanyl)butanoyl]-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

Related Compounds

3-(6-Phenylhexanoyl) oxazolidin-2-one
CID 101746948
Ethyl 7-phenyl-1,4-thiazepane-4-carboxylate
CID 73169006
3-[6-(3-Methylsulfanylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 145975175
3-[6-(4-Methylsulfanylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 145978602
4,4-dimethyl-3-[1-[3-[(Z)-2-phenylethenyl]sulfanylpropanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 172437096
3-(3-Phenylpropanoyl)oxazolidin-2-one
CID 13701771
Ethyl 2-[5-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 76326728
3-[(3R)-3-(2-fluorophenyl)-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one
CID 134999682
2-(Benzylthio)-1-(3-(methylthio)pyrrolidin-1-yl)ethanone
CID 72717835
2-methoxy-1-[(S)-7-phenyl-1,4-thiazepan-4-yl]-1-ethanone
CID 99884088
3-{2-oxo-2-[(S)-7-phenyl-1,4-thiazepan-4-yl]ethyl}-1,3-oxazolidin-2-one
CID 99884160
methyl [(S)-1-[2-(benzylthio)acetyl]-3-pyrrolidinylthio]acetate
CID 99982114

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(2-phenylethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S)-3-(2-phenylethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one (CID 134999987) is 3-[(3S)-3-(2-phenylethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S)-3-(2-phenylethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S)-3-(2-phenylethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one is C[C@@H](CC(=O)N1CCOC1=O)SCCc1ccccc1.
What is the InChIKey of 3-[(3S)-3-(2-phenylethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one?
The InChIKey is XDKCTJRBWIOASV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-12(11-14(17)16-8-9-19-15(16)18)20-10-7-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3/t12-/m0/s1.
What are the key properties of 3-[(3S)-3-(2-phenylethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one?
3-[(3S)-3-(2-phenylethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one has a molecular weight of 293.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(2-phenylethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134999987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).