4,5-dimethyl-3-(sulfinatoamino)-1,2-oxazole

C5H7N2O3S- — CID 69135005

IUPAC4,5-dimethyl-3-(sulfinatoamino)-1,2-oxazole
SMILESCc1onc(NS(=O)[O-])c1C
InChIInChI=1S/C5H8N2O3S/c1-3-4(2)10-6-5(3)7-11(8)9/h1-2H3,(H,6,7)(H,8,9)/p-1
InChIKeyNARBFKGKYHQXMD-UHFFFAOYSA-M
MW175.19 g/mol
LogP0.50
Rot. Bonds2

About 4,5-dimethyl-3-(sulfinatoamino)-1,2-oxazole

4,5-dimethyl-3-(sulfinatoamino)-1,2-oxazole (PubChem CID 69135005) has the molecular formula C5H7N2O3S- and a molecular weight of 175.19 g/mol. Its IUPAC name is 4,5-dimethyl-3-(sulfinatoamino)-1,2-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-3-(sulfinatoamino)-1,2-oxazole
PubChem CID69135005
Molecular FormulaC5H7N2O3S-
Molecular Weight175.19 g/mol
Exact Mass175.02
IUPAC Name4,5-dimethyl-3-(sulfinatoamino)-1,2-oxazole
SMILESCc1onc(NS(=O)[O-])c1C
InChIInChI=1S/C5H8N2O3S/c1-3-4(2)10-6-5(3)7-11(8)9/h1-2H3,(H,6,7)(H,8,9)/p-1
InChIKeyNARBFKGKYHQXMD-UHFFFAOYSA-M
XLogP0.50
TPSA78.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(sulfinatoamino)-1,2-oxazole?
The IUPAC name of 4,5-dimethyl-3-(sulfinatoamino)-1,2-oxazole (CID 69135005) is 4,5-dimethyl-3-(sulfinatoamino)-1,2-oxazole.
What is the SMILES notation for 4,5-dimethyl-3-(sulfinatoamino)-1,2-oxazole?
The canonical SMILES for 4,5-dimethyl-3-(sulfinatoamino)-1,2-oxazole is Cc1onc(NS(=O)[O-])c1C.
What is the InChIKey of 4,5-dimethyl-3-(sulfinatoamino)-1,2-oxazole?
The InChIKey is NARBFKGKYHQXMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8N2O3S/c1-3-4(2)10-6-5(3)7-11(8)9/h1-2H3,(H,6,7)(H,8,9)/p-1.
What are the key properties of 4,5-dimethyl-3-(sulfinatoamino)-1,2-oxazole?
4,5-dimethyl-3-(sulfinatoamino)-1,2-oxazole has a molecular weight of 175.19 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(sulfinatoamino)-1,2-oxazole is sourced from PubChem (CID 69135005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).