3-amino-6-methyl-5-(4-propyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid

C12H14N4O3 — CID 140941732

IUPAC3-amino-6-methyl-5-(4-propyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid
SMILESCCCc1coc(-c2nc(N)c(C(=O)O)nc2C)n1
InChIInChI=1S/C12H14N4O3/c1-3-4-7-5-19-11(15-7)8-6(2)14-9(12(17)18)10(13)16-8/h5H,3-4H2,1-2H3,(H2,13,16)(H,17,18)
InChIKeyFMUUCMIIEHQKAE-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.67
Rot. Bonds4

About 3-amino-6-methyl-5-(4-propyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid

3-amino-6-methyl-5-(4-propyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid (PubChem CID 140941732) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-amino-6-methyl-5-(4-propyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-methyl-5-(4-propyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid
PubChem CID140941732
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name3-amino-6-methyl-5-(4-propyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid
SMILESCCCc1coc(-c2nc(N)c(C(=O)O)nc2C)n1
InChIInChI=1S/C12H14N4O3/c1-3-4-7-5-19-11(15-7)8-6(2)14-9(12(17)18)10(13)16-8/h5H,3-4H2,1-2H3,(H2,13,16)(H,17,18)
InChIKeyFMUUCMIIEHQKAE-UHFFFAOYSA-N
XLogP1.67
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-5-(4-propyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-methyl-5-(4-propyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid (CID 140941732) is 3-amino-6-methyl-5-(4-propyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-methyl-5-(4-propyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-methyl-5-(4-propyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid is CCCc1coc(-c2nc(N)c(C(=O)O)nc2C)n1.
What is the InChIKey of 3-amino-6-methyl-5-(4-propyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid?
The InChIKey is FMUUCMIIEHQKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-3-4-7-5-19-11(15-7)8-6(2)14-9(12(17)18)10(13)16-8/h5H,3-4H2,1-2H3,(H2,13,16)(H,17,18).
What are the key properties of 3-amino-6-methyl-5-(4-propyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid?
3-amino-6-methyl-5-(4-propyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-5-(4-propyl-1,3-oxazol-2-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 140941732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).