4-iodo-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine

C5H7IN2O3S — CID 79557812

IUPAC4-iodo-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
SMILESCS(=O)(=O)Cc1onc(N)c1I
InChIInChI=1S/C5H7IN2O3S/c1-12(9,10)2-3-4(6)5(7)8-11-3/h2H2,1H3,(H2,7,8)
InChIKeyQUZUUOREKPPZOL-UHFFFAOYSA-N
MW302.09 g/mol
LogP0.41
Rot. Bonds2

About 4-iodo-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine

4-iodo-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine (PubChem CID 79557812) has the molecular formula C5H7IN2O3S and a molecular weight of 302.09 g/mol. Its IUPAC name is 4-iodo-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-iodo-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
PubChem CID79557812
Molecular FormulaC5H7IN2O3S
Molecular Weight302.09 g/mol
Exact Mass301.92
IUPAC Name4-iodo-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
SMILESCS(=O)(=O)Cc1onc(N)c1I
InChIInChI=1S/C5H7IN2O3S/c1-12(9,10)2-3-4(6)5(7)8-11-3/h2H2,1H3,(H2,7,8)
InChIKeyQUZUUOREKPPZOL-UHFFFAOYSA-N
XLogP0.41
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.09
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-iodo-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine (CID 79557812) is 4-iodo-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-iodo-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-iodo-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine is CS(=O)(=O)Cc1onc(N)c1I.
What is the InChIKey of 4-iodo-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine?
The InChIKey is QUZUUOREKPPZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN2O3S/c1-12(9,10)2-3-4(6)5(7)8-11-3/h2H2,1H3,(H2,7,8).
What are the key properties of 4-iodo-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine?
4-iodo-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine has a molecular weight of 302.09 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 79557812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).