4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine

C11H10N2O5S — CID 117453434

IUPAC4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine
SMILESCS(=O)(=O)c1c(-c2cnoc2N)ccc2c1OCO2
InChIInChI=1S/C11H10N2O5S/c1-19(14,15)10-6(7-4-13-18-11(7)12)2-3-8-9(10)17-5-16-8/h2-4H,5,12H2,1H3
InChIKeyJWGOCRISVFYXSW-UHFFFAOYSA-N
MW282.28 g/mol
LogP1.06
Rot. Bonds2

About 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine

4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine (PubChem CID 117453434) has the molecular formula C11H10N2O5S and a molecular weight of 282.28 g/mol. Its IUPAC name is 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine
PubChem CID117453434
Molecular FormulaC11H10N2O5S
Molecular Weight282.28 g/mol
Exact Mass282.03
IUPAC Name4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine
SMILESCS(=O)(=O)c1c(-c2cnoc2N)ccc2c1OCO2
InChIInChI=1S/C11H10N2O5S/c1-19(14,15)10-6(7-4-13-18-11(7)12)2-3-8-9(10)17-5-16-8/h2-4H,5,12H2,1H3
InChIKeyJWGOCRISVFYXSW-UHFFFAOYSA-N
XLogP1.06
TPSA104.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine (CID 117453434) is 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine is CS(=O)(=O)c1c(-c2cnoc2N)ccc2c1OCO2.
What is the InChIKey of 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine?
The InChIKey is JWGOCRISVFYXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5S/c1-19(14,15)10-6(7-4-13-18-11(7)12)2-3-8-9(10)17-5-16-8/h2-4H,5,12H2,1H3.
What are the key properties of 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine?
4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine has a molecular weight of 282.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117453434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).