3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazine-2-carboxylic acid

C11H12N4O4 — CID 121351018

IUPAC3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazine-2-carboxylic acid
SMILESCOCc1coc(-c2nc(N)c(C(=O)O)nc2C)n1
InChIInChI=1S/C11H12N4O4/c1-5-7(10-14-6(3-18-2)4-19-10)15-9(12)8(13-5)11(16)17/h4H,3H2,1-2H3,(H2,12,15)(H,16,17)
InChIKeyASHMIGSQHLCKQJ-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.87
Rot. Bonds4

About 3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazine-2-carboxylic acid

3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazine-2-carboxylic acid (PubChem CID 121351018) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazine-2-carboxylic acid
PubChem CID121351018
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazine-2-carboxylic acid
SMILESCOCc1coc(-c2nc(N)c(C(=O)O)nc2C)n1
InChIInChI=1S/C11H12N4O4/c1-5-7(10-14-6(3-18-2)4-19-10)15-9(12)8(13-5)11(16)17/h4H,3H2,1-2H3,(H2,12,15)(H,16,17)
InChIKeyASHMIGSQHLCKQJ-UHFFFAOYSA-N
XLogP0.87
TPSA124.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazine-2-carboxylic acid (CID 121351018) is 3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazine-2-carboxylic acid is COCc1coc(-c2nc(N)c(C(=O)O)nc2C)n1.
What is the InChIKey of 3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazine-2-carboxylic acid?
The InChIKey is ASHMIGSQHLCKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-5-7(10-14-6(3-18-2)4-19-10)15-9(12)8(13-5)11(16)17/h4H,3H2,1-2H3,(H2,12,15)(H,16,17).
What are the key properties of 3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazine-2-carboxylic acid?
3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazine-2-carboxylic acid has a molecular weight of 264.24 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazine-2-carboxylic acid is sourced from PubChem (CID 121351018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).