methyl 3-amino-5-methyl-1,2-oxazole-4-sulfinate

C5H8N2O3S — CID 18741337

IUPACmethyl 3-amino-5-methyl-1,2-oxazole-4-sulfinate
SMILESCOS(=O)c1c(N)noc1C
InChIInChI=1S/C5H8N2O3S/c1-3-4(11(8)9-2)5(6)7-10-3/h1-2H3,(H2,6,7)
InChIKeyGJNFWSVTIJOBAH-UHFFFAOYSA-N
MW176.20 g/mol
LogP0.23
Rot. Bonds2

About methyl 3-amino-5-methyl-1,2-oxazole-4-sulfinate

methyl 3-amino-5-methyl-1,2-oxazole-4-sulfinate (PubChem CID 18741337) has the molecular formula C5H8N2O3S and a molecular weight of 176.20 g/mol. Its IUPAC name is methyl 3-amino-5-methyl-1,2-oxazole-4-sulfinate.

Molecular Properties

Compound Namemethyl 3-amino-5-methyl-1,2-oxazole-4-sulfinate
PubChem CID18741337
Molecular FormulaC5H8N2O3S
Molecular Weight176.20 g/mol
Exact Mass176.03
IUPAC Namemethyl 3-amino-5-methyl-1,2-oxazole-4-sulfinate
SMILESCOS(=O)c1c(N)noc1C
InChIInChI=1S/C5H8N2O3S/c1-3-4(11(8)9-2)5(6)7-10-3/h1-2H3,(H2,6,7)
InChIKeyGJNFWSVTIJOBAH-UHFFFAOYSA-N
XLogP0.23
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-methyl-1,2-oxazole-4-sulfinate?
The IUPAC name of methyl 3-amino-5-methyl-1,2-oxazole-4-sulfinate (CID 18741337) is methyl 3-amino-5-methyl-1,2-oxazole-4-sulfinate.
What is the SMILES notation for methyl 3-amino-5-methyl-1,2-oxazole-4-sulfinate?
The canonical SMILES for methyl 3-amino-5-methyl-1,2-oxazole-4-sulfinate is COS(=O)c1c(N)noc1C.
What is the InChIKey of methyl 3-amino-5-methyl-1,2-oxazole-4-sulfinate?
The InChIKey is GJNFWSVTIJOBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3S/c1-3-4(11(8)9-2)5(6)7-10-3/h1-2H3,(H2,6,7).
What are the key properties of methyl 3-amino-5-methyl-1,2-oxazole-4-sulfinate?
methyl 3-amino-5-methyl-1,2-oxazole-4-sulfinate has a molecular weight of 176.20 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-methyl-1,2-oxazole-4-sulfinate is sourced from PubChem (CID 18741337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).