5-(aminomethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride

C5H7ClN2O3 — CID 47002883

IUPAC5-(aminomethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride
SMILESCl.NCc1cc(C(=O)O)no1
InChIInChI=1S/C5H6N2O3.ClH/c6-2-3-1-4(5(8)9)7-10-3;/h1H,2,6H2,(H,8,9);1H
InChIKeyYFJGQKFHUAYAES-UHFFFAOYSA-N
MW178.57 g/mol
LogP0.25
Rot. Bonds2

About 5-(aminomethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride

5-(aminomethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride (PubChem CID 47002883) has the molecular formula C5H7ClN2O3 and a molecular weight of 178.57 g/mol. Its IUPAC name is 5-(aminomethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride
PubChem CID47002883
Molecular FormulaC5H7ClN2O3
Molecular Weight178.57 g/mol
Exact Mass178.01
IUPAC Name5-(aminomethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride
SMILESCl.NCc1cc(C(=O)O)no1
InChIInChI=1S/C5H6N2O3.ClH/c6-2-3-1-4(5(8)9)7-10-3;/h1H,2,6H2,(H,8,9);1H
InChIKeyYFJGQKFHUAYAES-UHFFFAOYSA-N
XLogP0.25
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.57
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride?
The IUPAC name of 5-(aminomethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride (CID 47002883) is 5-(aminomethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride is Cl.NCc1cc(C(=O)O)no1.
What is the InChIKey of 5-(aminomethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride?
The InChIKey is YFJGQKFHUAYAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3.ClH/c6-2-3-1-4(5(8)9)7-10-3;/h1H,2,6H2,(H,8,9);1H.
What are the key properties of 5-(aminomethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride?
5-(aminomethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride has a molecular weight of 178.57 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 47002883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).