3-[(3R)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one

C15H17NO3S — CID 134999616

IUPAC3-[(3R)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one
SMILESC=CCS[C@H](CC(=O)N1CCOC1=O)c1ccccc1
InChIInChI=1S/C15H17NO3S/c1-2-10-20-13(12-6-4-3-5-7-12)11-14(17)16-8-9-19-15(16)18/h2-7,13H,1,8-11H2/t13-/m1/s1
InChIKeyVNJFGPHFNIWREO-CYBMUJFWSA-N
MW291.37 g/mol
LogP3.02
Rot. Bonds6

About 3-[(3R)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one

3-[(3R)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 134999616) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-[(3R)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID134999616
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name3-[(3R)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one
SMILESC=CCS[C@H](CC(=O)N1CCOC1=O)c1ccccc1
InChIInChI=1S/C15H17NO3S/c1-2-10-20-13(12-6-4-3-5-7-12)11-14(17)16-8-9-19-15(16)18/h2-7,13H,1,8-11H2/t13-/m1/s1
InChIKeyVNJFGPHFNIWREO-CYBMUJFWSA-N
XLogP3.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3R)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-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
3-[6-(4-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141138
3-[6-(3-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141223
3-[5-(4-Fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231
3-[6-(3-Fluorophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141210
3-[6-(3-Iodophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 145965726
(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 132155630
N-[(3-Methoxythiolan-3-YL)methyl]-4-phenylbutanamide
CID 71804835
Methyl 2-((1-(3-(4-fluoro-3-methylphenyl)propanoyl)pyrrolidin-3-yl)thio)acetate
CID 86264274
3-[6-(4-Iodophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 145968019
3-[6-(3-Methylsulfanylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 145975175
3-[6-(2-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 145976493

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one (CID 134999616) is 3-[(3R)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one is C=CCS[C@H](CC(=O)N1CCOC1=O)c1ccccc1.
What is the InChIKey of 3-[(3R)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is VNJFGPHFNIWREO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-2-10-20-13(12-6-4-3-5-7-12)11-14(17)16-8-9-19-15(16)18/h2-7,13H,1,8-11H2/t13-/m1/s1.
What are the key properties of 3-[(3R)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one?
3-[(3R)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 291.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134999616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).