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

C5H5NO3 — CID 59316844

IUPAC5-deuterio-2-methyl-1,3-oxazole-4-carboxylic acid
SMILES[2H]c1oc(C)nc1C(=O)O
InChIInChI=1S/C5H5NO3/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8)/i2D
InChIKeyIARMCEYEYXXEOS-VMNATFBRSA-N
MW128.11 g/mol
LogP0.68
Rot. Bonds1

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

5-deuterio-2-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 59316844) has the molecular formula C5H5NO3 and a molecular weight of 128.11 g/mol. Its IUPAC name is 5-deuterio-2-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-deuterio-2-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID59316844
Molecular FormulaC5H5NO3
Molecular Weight128.11 g/mol
Exact Mass128.03
IUPAC Name5-deuterio-2-methyl-1,3-oxazole-4-carboxylic acid
SMILES[2H]c1oc(C)nc1C(=O)O
InChIInChI=1S/C5H5NO3/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8)/i2D
InChIKeyIARMCEYEYXXEOS-VMNATFBRSA-N
XLogP0.68
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.11
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-deuterio-2-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-deuterio-2-methyl-1,3-oxazole-4-carboxylic acid (CID 59316844) is 5-deuterio-2-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-deuterio-2-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-deuterio-2-methyl-1,3-oxazole-4-carboxylic acid is [2H]c1oc(C)nc1C(=O)O.
What is the InChIKey of 5-deuterio-2-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is IARMCEYEYXXEOS-VMNATFBRSA-N. The full InChI is InChI=1S/C5H5NO3/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8)/i2D.
What are the key properties of 5-deuterio-2-methyl-1,3-oxazole-4-carboxylic acid?
5-deuterio-2-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 128.11 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-2-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 59316844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).