3-[(3R)-3-[(2-chlorophenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one

C14H16ClNO3S — CID 134970234

IUPAC3-[(3R)-3-[(2-chlorophenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1CCOC1=O)SCc1ccccc1Cl
InChIInChI=1S/C14H16ClNO3S/c1-10(8-13(17)16-6-7-19-14(16)18)20-9-11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3/t10-/m1/s1
InChIKeyMHFJYTXMVPXXQE-SNVBAGLBSA-N
MW313.81 g/mol
LogP3.33
Rot. Bonds5

About 3-[(3R)-3-[(2-chlorophenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one

3-[(3R)-3-[(2-chlorophenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one (PubChem CID 134970234) has the molecular formula C14H16ClNO3S and a molecular weight of 313.81 g/mol. Its IUPAC name is 3-[(3R)-3-[(2-chlorophenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-[(2-chlorophenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one
PubChem CID134970234
Molecular FormulaC14H16ClNO3S
Molecular Weight313.81 g/mol
Exact Mass313.05
IUPAC Name3-[(3R)-3-[(2-chlorophenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1CCOC1=O)SCc1ccccc1Cl
InChIInChI=1S/C14H16ClNO3S/c1-10(8-13(17)16-6-7-19-14(16)18)20-9-11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3/t10-/m1/s1
InChIKeyMHFJYTXMVPXXQE-SNVBAGLBSA-N
XLogP3.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[(2-chlorophenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-3-[(2-chlorophenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one (CID 134970234) is 3-[(3R)-3-[(2-chlorophenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-3-[(2-chlorophenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-3-[(2-chlorophenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one is C[C@H](CC(=O)N1CCOC1=O)SCc1ccccc1Cl.
What is the InChIKey of 3-[(3R)-3-[(2-chlorophenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one?
The InChIKey is MHFJYTXMVPXXQE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16ClNO3S/c1-10(8-13(17)16-6-7-19-14(16)18)20-9-11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3/t10-/m1/s1.
What are the key properties of 3-[(3R)-3-[(2-chlorophenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one?
3-[(3R)-3-[(2-chlorophenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one has a molecular weight of 313.81 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[(2-chlorophenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134970234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).