3,5-dimethyl-2H-1,2-oxazole-5-sulfonohydrazide

C5H11N3O3S — CID 66680302

IUPAC3,5-dimethyl-2H-1,2-oxazole-5-sulfonohydrazide
SMILESCC1=CC(C)(S(=O)(=O)NN)ON1
InChIInChI=1S/C5H11N3O3S/c1-4-3-5(2,11-7-4)12(9,10)8-6/h3,7-8H,6H2,1-2H3
InChIKeyJGMPXQBPZWKBBT-UHFFFAOYSA-N
MW193.23 g/mol
LogP-1.07
Rot. Bonds2

About 3,5-dimethyl-2H-1,2-oxazole-5-sulfonohydrazide

3,5-dimethyl-2H-1,2-oxazole-5-sulfonohydrazide (PubChem CID 66680302) has the molecular formula C5H11N3O3S and a molecular weight of 193.23 g/mol. Its IUPAC name is 3,5-dimethyl-2H-1,2-oxazole-5-sulfonohydrazide.

Molecular Properties

Compound Name3,5-dimethyl-2H-1,2-oxazole-5-sulfonohydrazide
PubChem CID66680302
Molecular FormulaC5H11N3O3S
Molecular Weight193.23 g/mol
Exact Mass193.05
IUPAC Name3,5-dimethyl-2H-1,2-oxazole-5-sulfonohydrazide
SMILESCC1=CC(C)(S(=O)(=O)NN)ON1
InChIInChI=1S/C5H11N3O3S/c1-4-3-5(2,11-7-4)12(9,10)8-6/h3,7-8H,6H2,1-2H3
InChIKeyJGMPXQBPZWKBBT-UHFFFAOYSA-N
XLogP-1.07
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2H-1,2-oxazole-5-sulfonohydrazide?
The IUPAC name of 3,5-dimethyl-2H-1,2-oxazole-5-sulfonohydrazide (CID 66680302) is 3,5-dimethyl-2H-1,2-oxazole-5-sulfonohydrazide.
What is the SMILES notation for 3,5-dimethyl-2H-1,2-oxazole-5-sulfonohydrazide?
The canonical SMILES for 3,5-dimethyl-2H-1,2-oxazole-5-sulfonohydrazide is CC1=CC(C)(S(=O)(=O)NN)ON1.
What is the InChIKey of 3,5-dimethyl-2H-1,2-oxazole-5-sulfonohydrazide?
The InChIKey is JGMPXQBPZWKBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O3S/c1-4-3-5(2,11-7-4)12(9,10)8-6/h3,7-8H,6H2,1-2H3.
What are the key properties of 3,5-dimethyl-2H-1,2-oxazole-5-sulfonohydrazide?
3,5-dimethyl-2H-1,2-oxazole-5-sulfonohydrazide has a molecular weight of 193.23 g/mol, XLogP of -1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2H-1,2-oxazole-5-sulfonohydrazide is sourced from PubChem (CID 66680302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).