5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one

C11H13NO3S — CID 66348944

IUPAC5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(CSc2cccc(CO)c2)O1
InChIInChI=1S/C11H13NO3S/c13-6-8-2-1-3-10(4-8)16-7-9-5-12-11(14)15-9/h1-4,9,13H,5-7H2,(H,12,14)
InChIKeyKJEGCDDTZYEXFD-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.38
Rot. Bonds4

About 5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one

5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one (PubChem CID 66348944) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one
PubChem CID66348944
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(CSc2cccc(CO)c2)O1
InChIInChI=1S/C11H13NO3S/c13-6-8-2-1-3-10(4-8)16-7-9-5-12-11(14)15-9/h1-4,9,13H,5-7H2,(H,12,14)
InChIKeyKJEGCDDTZYEXFD-UHFFFAOYSA-N
XLogP1.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one (CID 66348944) is 5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one is O=C1NCC(CSc2cccc(CO)c2)O1.
What is the InChIKey of 5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one?
The InChIKey is KJEGCDDTZYEXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c13-6-8-2-1-3-10(4-8)16-7-9-5-12-11(14)15-9/h1-4,9,13H,5-7H2,(H,12,14).
What are the key properties of 5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one?
5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one has a molecular weight of 239.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66348944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).