5-[(4-chlorophenyl)sulfanylmethyl]-1,3-oxazolidin-2-one

C10H10ClNO2S — CID 138992698

IUPAC5-[(4-chlorophenyl)sulfanylmethyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(CSc2ccc(Cl)cc2)O1
InChIInChI=1S/C10H10ClNO2S/c11-7-1-3-9(4-2-7)15-6-8-5-12-10(13)14-8/h1-4,8H,5-6H2,(H,12,13)
InChIKeyJYQMEDQCTBXANA-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.54
Rot. Bonds3

About 5-[(4-chlorophenyl)sulfanylmethyl]-1,3-oxazolidin-2-one

5-[(4-chlorophenyl)sulfanylmethyl]-1,3-oxazolidin-2-one (PubChem CID 138992698) has the molecular formula C10H10ClNO2S and a molecular weight of 243.71 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)sulfanylmethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)sulfanylmethyl]-1,3-oxazolidin-2-one
PubChem CID138992698
Molecular FormulaC10H10ClNO2S
Molecular Weight243.71 g/mol
Exact Mass243.01
IUPAC Name5-[(4-chlorophenyl)sulfanylmethyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(CSc2ccc(Cl)cc2)O1
InChIInChI=1S/C10H10ClNO2S/c11-7-1-3-9(4-2-7)15-6-8-5-12-10(13)14-8/h1-4,8H,5-6H2,(H,12,13)
InChIKeyJYQMEDQCTBXANA-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)sulfanylmethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-chlorophenyl)sulfanylmethyl]-1,3-oxazolidin-2-one (CID 138992698) is 5-[(4-chlorophenyl)sulfanylmethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-chlorophenyl)sulfanylmethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-chlorophenyl)sulfanylmethyl]-1,3-oxazolidin-2-one is O=C1NCC(CSc2ccc(Cl)cc2)O1.
What is the InChIKey of 5-[(4-chlorophenyl)sulfanylmethyl]-1,3-oxazolidin-2-one?
The InChIKey is JYQMEDQCTBXANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2S/c11-7-1-3-9(4-2-7)15-6-8-5-12-10(13)14-8/h1-4,8H,5-6H2,(H,12,13).
What are the key properties of 5-[(4-chlorophenyl)sulfanylmethyl]-1,3-oxazolidin-2-one?
5-[(4-chlorophenyl)sulfanylmethyl]-1,3-oxazolidin-2-one has a molecular weight of 243.71 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)sulfanylmethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 138992698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).