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

C15H17NO3S — CID 134964293

IUPAC3-[(3S)-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-/m0/s1
InChIKeyVNJFGPHFNIWREO-ZDUSSCGKSA-N
MW291.37 g/mol
LogP3.02
Rot. Bonds6

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

3-[(3S)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 134964293) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-[(3S)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID134964293
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name3-[(3S)-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-/m0/s1
InChIKeyVNJFGPHFNIWREO-ZDUSSCGKSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one (CID 134964293) is 3-[(3S)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S)-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-[(3S)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is VNJFGPHFNIWREO-ZDUSSCGKSA-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-/m0/s1.
What are the key properties of 3-[(3S)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one?
3-[(3S)-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-[(3S)-3-phenyl-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134964293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).