5-[(dimethylamino)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride

C7H11ClN2O3 — CID 71757866

IUPAC5-[(dimethylamino)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride
SMILESCN(C)Cc1cc(C(=O)O)no1.Cl
InChIInChI=1S/C7H10N2O3.ClH/c1-9(2)4-5-3-6(7(10)11)8-12-5;/h3H,4H2,1-2H3,(H,10,11);1H
InChIKeyIXUHHRRTQBBWKZ-UHFFFAOYSA-N
MW206.63 g/mol
LogP0.86
Rot. Bonds3

About 5-[(dimethylamino)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride

5-[(dimethylamino)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride (PubChem CID 71757866) has the molecular formula C7H11ClN2O3 and a molecular weight of 206.63 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride
PubChem CID71757866
Molecular FormulaC7H11ClN2O3
Molecular Weight206.63 g/mol
Exact Mass206.05
IUPAC Name5-[(dimethylamino)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride
SMILESCN(C)Cc1cc(C(=O)O)no1.Cl
InChIInChI=1S/C7H10N2O3.ClH/c1-9(2)4-5-3-6(7(10)11)8-12-5;/h3H,4H2,1-2H3,(H,10,11);1H
InChIKeyIXUHHRRTQBBWKZ-UHFFFAOYSA-N
XLogP0.86
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride?
The IUPAC name of 5-[(dimethylamino)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride (CID 71757866) is 5-[(dimethylamino)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride?
The canonical SMILES for 5-[(dimethylamino)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride is CN(C)Cc1cc(C(=O)O)no1.Cl.
What is the InChIKey of 5-[(dimethylamino)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride?
The InChIKey is IXUHHRRTQBBWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3.ClH/c1-9(2)4-5-3-6(7(10)11)8-12-5;/h3H,4H2,1-2H3,(H,10,11);1H.
What are the key properties of 5-[(dimethylamino)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride?
5-[(dimethylamino)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride has a molecular weight of 206.63 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 71757866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).