methyl 5-amino-3-methylsulfanyl-1,2-oxazole-4-carboxylate

C6H8N2O3S — CID 45089184

IUPACmethyl 5-amino-3-methylsulfanyl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(SC)noc1N
InChIInChI=1S/C6H8N2O3S/c1-10-6(9)3-4(7)11-8-5(3)12-2/h7H2,1-2H3
InChIKeyAYNCAFOSIUQUKL-UHFFFAOYSA-N
MW188.21 g/mol
LogP0.77
Rot. Bonds2

About methyl 5-amino-3-methylsulfanyl-1,2-oxazole-4-carboxylate

methyl 5-amino-3-methylsulfanyl-1,2-oxazole-4-carboxylate (PubChem CID 45089184) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is methyl 5-amino-3-methylsulfanyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-methylsulfanyl-1,2-oxazole-4-carboxylate
PubChem CID45089184
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Namemethyl 5-amino-3-methylsulfanyl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(SC)noc1N
InChIInChI=1S/C6H8N2O3S/c1-10-6(9)3-4(7)11-8-5(3)12-2/h7H2,1-2H3
InChIKeyAYNCAFOSIUQUKL-UHFFFAOYSA-N
XLogP0.77
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-3-piperazin-1-yl-1,2-oxazole-4-carboxylate
CID 102808521
methyl 5-methyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate
CID 151631715
methyl 3-amino-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 105441014
methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 112725166
methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate
CID 23204634
methyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 105434387
methyl 5-amino-4-cyclopentyl-1,2-oxazole-3-carboxylate
CID 105463948
methyl 2-bromo-6-methylsulfanylbenzoate
CID 91880735
methyl 4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxylate
CID 1252198
4-bromo-3-methylsulfanyl-1,2-oxazole-5-carboxylic acid
CID 83867110
methyl 5-bromo-3-methyl-1,2-oxazole-4-carboxylate
CID 84685263
methyl 4-acetyl-2-amino-5-methylfuran-3-carboxylate
CID 20983611

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-methylsulfanyl-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-methylsulfanyl-1,2-oxazole-4-carboxylate (CID 45089184) is methyl 5-amino-3-methylsulfanyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-methylsulfanyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-methylsulfanyl-1,2-oxazole-4-carboxylate is COC(=O)c1c(SC)noc1N.
What is the InChIKey of methyl 5-amino-3-methylsulfanyl-1,2-oxazole-4-carboxylate?
The InChIKey is AYNCAFOSIUQUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c1-10-6(9)3-4(7)11-8-5(3)12-2/h7H2,1-2H3.
What are the key properties of methyl 5-amino-3-methylsulfanyl-1,2-oxazole-4-carboxylate?
methyl 5-amino-3-methylsulfanyl-1,2-oxazole-4-carboxylate has a molecular weight of 188.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-methylsulfanyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 45089184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).