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

C10H10N2O4S — CID 117388686

IUPAC3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfonylphenol
SMILESCS(=O)(=O)c1c(O)cccc1-c1cnoc1N
InChIInChI=1S/C10H10N2O4S/c1-17(14,15)9-6(3-2-4-8(9)13)7-5-12-16-10(7)11/h2-5,13H,11H2,1H3
InChIKeySICDUKYHMIFNAO-UHFFFAOYSA-N
MW254.27 g/mol
LogP1.03
Rot. Bonds2

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

3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfonylphenol (PubChem CID 117388686) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is 3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfonylphenol.

Molecular Properties

Compound Name3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfonylphenol
PubChem CID117388686
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Name3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfonylphenol
SMILESCS(=O)(=O)c1c(O)cccc1-c1cnoc1N
InChIInChI=1S/C10H10N2O4S/c1-17(14,15)9-6(3-2-4-8(9)13)7-5-12-16-10(7)11/h2-5,13H,11H2,1H3
InChIKeySICDUKYHMIFNAO-UHFFFAOYSA-N
XLogP1.03
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfonylphenol?
The IUPAC name of 3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfonylphenol (CID 117388686) is 3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfonylphenol.
What is the SMILES notation for 3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfonylphenol?
The canonical SMILES for 3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfonylphenol is CS(=O)(=O)c1c(O)cccc1-c1cnoc1N.
What is the InChIKey of 3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfonylphenol?
The InChIKey is SICDUKYHMIFNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S/c1-17(14,15)9-6(3-2-4-8(9)13)7-5-12-16-10(7)11/h2-5,13H,11H2,1H3.
What are the key properties of 3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfonylphenol?
3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfonylphenol has a molecular weight of 254.27 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfonylphenol is sourced from PubChem (CID 117388686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).