3-amino-5-methyl-1,2-oxazole-4-carboxylic acid

C5H6N2O3 — CID 55284337

IUPAC3-amino-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(N)c1C(=O)O
InChIInChI=1S/C5H6N2O3/c1-2-3(5(8)9)4(6)7-10-2/h1H3,(H2,6,7)(H,8,9)
InChIKeyPPQXLXMTMKUZKF-UHFFFAOYSA-N
MW142.11 g/mol
LogP0.26
Rot. Bonds1

About 3-amino-5-methyl-1,2-oxazole-4-carboxylic acid

3-amino-5-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 55284337) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 3-amino-5-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID55284337
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name3-amino-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(N)c1C(=O)O
InChIInChI=1S/C5H6N2O3/c1-2-3(5(8)9)4(6)7-10-2/h1H3,(H2,6,7)(H,8,9)
InChIKeyPPQXLXMTMKUZKF-UHFFFAOYSA-N
XLogP0.26
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-amino-5-methyl-1,2-oxazole-4-carboxylic acid (CID 55284337) is 3-amino-5-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-amino-5-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-amino-5-methyl-1,2-oxazole-4-carboxylic acid is Cc1onc(N)c1C(=O)O.
What is the InChIKey of 3-amino-5-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is PPQXLXMTMKUZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-2-3(5(8)9)4(6)7-10-2/h1H3,(H2,6,7)(H,8,9).
What are the key properties of 3-amino-5-methyl-1,2-oxazole-4-carboxylic acid?
3-amino-5-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 142.11 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 55284337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).