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

C11H12N4O3 — CID 121350969

IUPAC3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyrazine-2-carboxylic acid
SMILESCc1nc(C(=O)O)c(N)nc1-c1nc(C)c(C)o1
InChIInChI=1S/C11H12N4O3/c1-4-6(3)18-10(14-4)7-5(2)13-8(11(16)17)9(12)15-7/h1-3H3,(H2,12,15)(H,16,17)
InChIKeyILEPKKAXKVVXLV-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.34
Rot. Bonds2

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

3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyrazine-2-carboxylic acid (PubChem CID 121350969) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyrazine-2-carboxylic acid
PubChem CID121350969
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyrazine-2-carboxylic acid
SMILESCc1nc(C(=O)O)c(N)nc1-c1nc(C)c(C)o1
InChIInChI=1S/C11H12N4O3/c1-4-6(3)18-10(14-4)7-5(2)13-8(11(16)17)9(12)15-7/h1-3H3,(H2,12,15)(H,16,17)
InChIKeyILEPKKAXKVVXLV-UHFFFAOYSA-N
XLogP1.34
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyrazine-2-carboxylic acid (CID 121350969) is 3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyrazine-2-carboxylic acid is Cc1nc(C(=O)O)c(N)nc1-c1nc(C)c(C)o1.
What is the InChIKey of 3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyrazine-2-carboxylic acid?
The InChIKey is ILEPKKAXKVVXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-4-6(3)18-10(14-4)7-5(2)13-8(11(16)17)9(12)15-7/h1-3H3,(H2,12,15)(H,16,17).
What are the key properties of 3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyrazine-2-carboxylic acid?
3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyrazine-2-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyrazine-2-carboxylic acid is sourced from PubChem (CID 121350969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).