3-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one

C12H13NO3S — CID 62023548

IUPAC3-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCSc1ccc(C(=O)CN2CCOC2=O)cc1
InChIInChI=1S/C12H13NO3S/c1-17-10-4-2-9(3-5-10)11(14)8-13-6-7-16-12(13)15/h2-5H,6-8H2,1H3
InChIKeyBWVVYNADLUTVEA-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.04
Rot. Bonds4

About 3-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 62023548) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID62023548
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name3-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCSc1ccc(C(=O)CN2CCOC2=O)cc1
InChIInChI=1S/C12H13NO3S/c1-17-10-4-2-9(3-5-10)11(14)8-13-6-7-16-12(13)15/h2-5H,6-8H2,1H3
InChIKeyBWVVYNADLUTVEA-UHFFFAOYSA-N
XLogP2.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one (CID 62023548) is 3-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one is CSc1ccc(C(=O)CN2CCOC2=O)cc1.
What is the InChIKey of 3-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is BWVVYNADLUTVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-17-10-4-2-9(3-5-10)11(14)8-13-6-7-16-12(13)15/h2-5H,6-8H2,1H3.
What are the key properties of 3-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 251.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 62023548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).