2-(dimethylamino)-1,3-oxazole-4-carboxylic acid

C6H8N2O3 — CID 83872845

IUPAC2-(dimethylamino)-1,3-oxazole-4-carboxylic acid
SMILESCN(C)c1nc(C(=O)O)co1
InChIInChI=1S/C6H8N2O3/c1-8(2)6-7-4(3-11-6)5(9)10/h3H,1-2H3,(H,9,10)
InChIKeyXGWZFXHKPFYTPL-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.44
Rot. Bonds2

About 2-(dimethylamino)-1,3-oxazole-4-carboxylic acid

2-(dimethylamino)-1,3-oxazole-4-carboxylic acid (PubChem CID 83872845) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-(dimethylamino)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-1,3-oxazole-4-carboxylic acid
PubChem CID83872845
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-(dimethylamino)-1,3-oxazole-4-carboxylic acid
SMILESCN(C)c1nc(C(=O)O)co1
InChIInChI=1S/C6H8N2O3/c1-8(2)6-7-4(3-11-6)5(9)10/h3H,1-2H3,(H,9,10)
InChIKeyXGWZFXHKPFYTPL-UHFFFAOYSA-N
XLogP0.44
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-1,3-oxazole-4-carboxylic acid (CID 83872845) is 2-(dimethylamino)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-1,3-oxazole-4-carboxylic acid is CN(C)c1nc(C(=O)O)co1.
What is the InChIKey of 2-(dimethylamino)-1,3-oxazole-4-carboxylic acid?
The InChIKey is XGWZFXHKPFYTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-8(2)6-7-4(3-11-6)5(9)10/h3H,1-2H3,(H,9,10).
What are the key properties of 2-(dimethylamino)-1,3-oxazole-4-carboxylic acid?
2-(dimethylamino)-1,3-oxazole-4-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 83872845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).