3-[(3R)-3-(4-chlorophenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one

C13H14ClNO3S — CID 164685798

IUPAC3-[(3R)-3-(4-chlorophenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1CCOC1=O)Sc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO3S/c1-9(19-11-4-2-10(14)3-5-11)8-12(16)15-6-7-18-13(15)17/h2-5,9H,6-8H2,1H3/t9-/m1/s1
InChIKeyXLSCHVZOLPVLIY-SECBINFHSA-N
MW299.78 g/mol
LogP3.19
Rot. Bonds4

About 3-[(3R)-3-(4-chlorophenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one

3-[(3R)-3-(4-chlorophenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 164685798) has the molecular formula C13H14ClNO3S and a molecular weight of 299.78 g/mol. Its IUPAC name is 3-[(3R)-3-(4-chlorophenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-(4-chlorophenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID164685798
Molecular FormulaC13H14ClNO3S
Molecular Weight299.78 g/mol
Exact Mass299.04
IUPAC Name3-[(3R)-3-(4-chlorophenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1CCOC1=O)Sc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO3S/c1-9(19-11-4-2-10(14)3-5-11)8-12(16)15-6-7-18-13(15)17/h2-5,9H,6-8H2,1H3/t9-/m1/s1
InChIKeyXLSCHVZOLPVLIY-SECBINFHSA-N
XLogP3.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(4-chlorophenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-3-(4-chlorophenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one (CID 164685798) is 3-[(3R)-3-(4-chlorophenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-3-(4-chlorophenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-3-(4-chlorophenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one is C[C@H](CC(=O)N1CCOC1=O)Sc1ccc(Cl)cc1.
What is the InChIKey of 3-[(3R)-3-(4-chlorophenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is XLSCHVZOLPVLIY-SECBINFHSA-N. The full InChI is InChI=1S/C13H14ClNO3S/c1-9(19-11-4-2-10(14)3-5-11)8-12(16)15-6-7-18-13(15)17/h2-5,9H,6-8H2,1H3/t9-/m1/s1.
What are the key properties of 3-[(3R)-3-(4-chlorophenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one?
3-[(3R)-3-(4-chlorophenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 299.78 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(4-chlorophenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 164685798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).