5-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one

C12H15NO3S — CID 117063689

IUPAC5-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
SMILESCSc1ccc(N2CC(CCO)OC2=O)cc1
InChIInChI=1S/C12H15NO3S/c1-17-11-4-2-9(3-5-11)13-8-10(6-7-14)16-12(13)15/h2-5,10,14H,6-8H2,1H3
InChIKeyQGOQAEDVKDWGHK-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.12
Rot. Bonds4

About 5-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one

5-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one (PubChem CID 117063689) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
PubChem CID117063689
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name5-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
SMILESCSc1ccc(N2CC(CCO)OC2=O)cc1
InChIInChI=1S/C12H15NO3S/c1-17-11-4-2-9(3-5-11)13-8-10(6-7-14)16-12(13)15/h2-5,10,14H,6-8H2,1H3
InChIKeyQGOQAEDVKDWGHK-UHFFFAOYSA-N
XLogP2.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 69364737
3-(3-fluorophenyl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 77164925
(5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 69364312
(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 10806051
N-[[3-[4-(2-hydroxyethylsulfanyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011393
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate
CID 157352666
5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 82391857
(5S)-3-[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 166997316
(5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 15591327
5-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-oxazolidin-2-one
CID 118940539
1-ethyl-3-[[3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]urea
CID 129071137
5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 22368592

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one (CID 117063689) is 5-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one is CSc1ccc(N2CC(CCO)OC2=O)cc1.
What is the InChIKey of 5-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is QGOQAEDVKDWGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-17-11-4-2-9(3-5-11)13-8-10(6-7-14)16-12(13)15/h2-5,10,14H,6-8H2,1H3.
What are the key properties of 5-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one?
5-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 253.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 117063689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).