5-methyl-3-(1,3-oxazol-2-ylsulfanyl)oxolan-2-one

C8H9NO3S — CID 130978509

IUPAC5-methyl-3-(1,3-oxazol-2-ylsulfanyl)oxolan-2-one
SMILESCC1CC(Sc2ncco2)C(=O)O1
InChIInChI=1S/C8H9NO3S/c1-5-4-6(7(10)12-5)13-8-9-2-3-11-8/h2-3,5-6H,4H2,1H3
InChIKeyCFSFEWBGRAKJLX-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.47
Rot. Bonds2

About 5-methyl-3-(1,3-oxazol-2-ylsulfanyl)oxolan-2-one

5-methyl-3-(1,3-oxazol-2-ylsulfanyl)oxolan-2-one (PubChem CID 130978509) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 5-methyl-3-(1,3-oxazol-2-ylsulfanyl)oxolan-2-one.

Molecular Properties

Compound Name5-methyl-3-(1,3-oxazol-2-ylsulfanyl)oxolan-2-one
PubChem CID130978509
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name5-methyl-3-(1,3-oxazol-2-ylsulfanyl)oxolan-2-one
SMILESCC1CC(Sc2ncco2)C(=O)O1
InChIInChI=1S/C8H9NO3S/c1-5-4-6(7(10)12-5)13-8-9-2-3-11-8/h2-3,5-6H,4H2,1H3
InChIKeyCFSFEWBGRAKJLX-UHFFFAOYSA-N
XLogP1.47
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1,3-oxazol-2-ylsulfanyl)oxolan-2-one?
The IUPAC name of 5-methyl-3-(1,3-oxazol-2-ylsulfanyl)oxolan-2-one (CID 130978509) is 5-methyl-3-(1,3-oxazol-2-ylsulfanyl)oxolan-2-one.
What is the SMILES notation for 5-methyl-3-(1,3-oxazol-2-ylsulfanyl)oxolan-2-one?
The canonical SMILES for 5-methyl-3-(1,3-oxazol-2-ylsulfanyl)oxolan-2-one is CC1CC(Sc2ncco2)C(=O)O1.
What is the InChIKey of 5-methyl-3-(1,3-oxazol-2-ylsulfanyl)oxolan-2-one?
The InChIKey is CFSFEWBGRAKJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-5-4-6(7(10)12-5)13-8-9-2-3-11-8/h2-3,5-6H,4H2,1H3.
What are the key properties of 5-methyl-3-(1,3-oxazol-2-ylsulfanyl)oxolan-2-one?
5-methyl-3-(1,3-oxazol-2-ylsulfanyl)oxolan-2-one has a molecular weight of 199.23 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1,3-oxazol-2-ylsulfanyl)oxolan-2-one is sourced from PubChem (CID 130978509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).