3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol

C10H10N2O2S — CID 117318069

IUPAC3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol
SMILESCSc1c(O)cccc1-c1cnoc1N
InChIInChI=1S/C10H10N2O2S/c1-15-9-6(3-2-4-8(9)13)7-5-12-14-10(7)11/h2-5,13H,11H2,1H3
InChIKeyLVYLSIZPSDLGRY-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.35
Rot. Bonds2

About 3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol

3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol (PubChem CID 117318069) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol.

Molecular Properties

Compound Name3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol
PubChem CID117318069
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol
SMILESCSc1c(O)cccc1-c1cnoc1N
InChIInChI=1S/C10H10N2O2S/c1-15-9-6(3-2-4-8(9)13)7-5-12-14-10(7)11/h2-5,13H,11H2,1H3
InChIKeyLVYLSIZPSDLGRY-UHFFFAOYSA-N
XLogP2.35
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol?
The IUPAC name of 3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol (CID 117318069) is 3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol.
What is the SMILES notation for 3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol?
The canonical SMILES for 3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol is CSc1c(O)cccc1-c1cnoc1N.
What is the InChIKey of 3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol?
The InChIKey is LVYLSIZPSDLGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-15-9-6(3-2-4-8(9)13)7-5-12-14-10(7)11/h2-5,13H,11H2,1H3.
What are the key properties of 3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol?
3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol has a molecular weight of 222.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol is sourced from PubChem (CID 117318069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).