5-methyl-4-methylsulfanyl-1,2-oxazol-3-one

C5H7NO2S — CID 10510972

IUPAC5-methyl-4-methylsulfanyl-1,2-oxazol-3-one
SMILESCSc1c(C)o[nH]c1=O
InChIInChI=1S/C5H7NO2S/c1-3-4(9-2)5(7)6-8-3/h1-2H3,(H,6,7)
InChIKeyYKZIMVZCMNUSCE-UHFFFAOYSA-N
MW145.18 g/mol
LogP1.00
Rot. Bonds1

About 5-methyl-4-methylsulfanyl-1,2-oxazol-3-one

5-methyl-4-methylsulfanyl-1,2-oxazol-3-one (PubChem CID 10510972) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is 5-methyl-4-methylsulfanyl-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-methyl-4-methylsulfanyl-1,2-oxazol-3-one
PubChem CID10510972
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name5-methyl-4-methylsulfanyl-1,2-oxazol-3-one
SMILESCSc1c(C)o[nH]c1=O
InChIInChI=1S/C5H7NO2S/c1-3-4(9-2)5(7)6-8-3/h1-2H3,(H,6,7)
InChIKeyYKZIMVZCMNUSCE-UHFFFAOYSA-N
XLogP1.00
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylsulfanyl-1,2-oxazol-3-one?
The IUPAC name of 5-methyl-4-methylsulfanyl-1,2-oxazol-3-one (CID 10510972) is 5-methyl-4-methylsulfanyl-1,2-oxazol-3-one.
What is the SMILES notation for 5-methyl-4-methylsulfanyl-1,2-oxazol-3-one?
The canonical SMILES for 5-methyl-4-methylsulfanyl-1,2-oxazol-3-one is CSc1c(C)o[nH]c1=O.
What is the InChIKey of 5-methyl-4-methylsulfanyl-1,2-oxazol-3-one?
The InChIKey is YKZIMVZCMNUSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c1-3-4(9-2)5(7)6-8-3/h1-2H3,(H,6,7).
What are the key properties of 5-methyl-4-methylsulfanyl-1,2-oxazol-3-one?
5-methyl-4-methylsulfanyl-1,2-oxazol-3-one has a molecular weight of 145.18 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylsulfanyl-1,2-oxazol-3-one is sourced from PubChem (CID 10510972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).