hydrogen sulfate;hydron;1,3-oxazole

C3H5NO5S — CID 173112516

IUPAChydrogen sulfate;hydron;1,3-oxazole
SMILESO=S(=O)([O-])O.[H+].c1cocn1
InChIInChI=1S/C3H3NO.H2O4S/c1-2-5-3-4-1;1-5(2,3)4/h1-3H;(H2,1,2,3,4)
InChIKeyJFVQTBCQTKUHQV-UHFFFAOYSA-N
MW167.14 g/mol
LogP-0.21
Rot. Bonds

About hydrogen sulfate;hydron;1,3-oxazole

hydrogen sulfate;hydron;1,3-oxazole (PubChem CID 173112516) has the molecular formula C3H5NO5S and a molecular weight of 167.14 g/mol. Its IUPAC name is hydrogen sulfate;hydron;1,3-oxazole.

Molecular Properties

Compound Namehydrogen sulfate;hydron;1,3-oxazole
PubChem CID173112516
Molecular FormulaC3H5NO5S
Molecular Weight167.14 g/mol
Exact Mass166.99
IUPAC Namehydrogen sulfate;hydron;1,3-oxazole
SMILESO=S(=O)([O-])O.[H+].c1cocn1
InChIInChI=1S/C3H3NO.H2O4S/c1-2-5-3-4-1;1-5(2,3)4/h1-3H;(H2,1,2,3,4)
InChIKeyJFVQTBCQTKUHQV-UHFFFAOYSA-N
XLogP-0.21
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hydrogen sulfate;hydron;1,3-oxazole?
The IUPAC name of hydrogen sulfate;hydron;1,3-oxazole (CID 173112516) is hydrogen sulfate;hydron;1,3-oxazole.
What is the SMILES notation for hydrogen sulfate;hydron;1,3-oxazole?
The canonical SMILES for hydrogen sulfate;hydron;1,3-oxazole is O=S(=O)([O-])O.[H+].c1cocn1.
What is the InChIKey of hydrogen sulfate;hydron;1,3-oxazole?
The InChIKey is JFVQTBCQTKUHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO.H2O4S/c1-2-5-3-4-1;1-5(2,3)4/h1-3H;(H2,1,2,3,4).
What are the key properties of hydrogen sulfate;hydron;1,3-oxazole?
hydrogen sulfate;hydron;1,3-oxazole has a molecular weight of 167.14 g/mol, XLogP of -0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;hydron;1,3-oxazole is sourced from PubChem (CID 173112516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).