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

C7H11ClN2O3 — CID 146150203

IUPAC5-(3-aminopropyl)-1,2-oxazole-3-carboxylic acid;hydrochloride
SMILESCl.NCCCc1cc(C(=O)O)no1
InChIInChI=1S/C7H10N2O3.ClH/c8-3-1-2-5-4-6(7(10)11)9-12-5;/h4H,1-3,8H2,(H,10,11);1H
InChIKeyGMHGPKLHWIFYST-UHFFFAOYSA-N
MW206.63 g/mol
LogP0.69
Rot. Bonds4

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

5-(3-aminopropyl)-1,2-oxazole-3-carboxylic acid;hydrochloride (PubChem CID 146150203) has the molecular formula C7H11ClN2O3 and a molecular weight of 206.63 g/mol. Its IUPAC name is 5-(3-aminopropyl)-1,2-oxazole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(3-aminopropyl)-1,2-oxazole-3-carboxylic acid;hydrochloride
PubChem CID146150203
Molecular FormulaC7H11ClN2O3
Molecular Weight206.63 g/mol
Exact Mass206.05
IUPAC Name5-(3-aminopropyl)-1,2-oxazole-3-carboxylic acid;hydrochloride
SMILESCl.NCCCc1cc(C(=O)O)no1
InChIInChI=1S/C7H10N2O3.ClH/c8-3-1-2-5-4-6(7(10)11)9-12-5;/h4H,1-3,8H2,(H,10,11);1H
InChIKeyGMHGPKLHWIFYST-UHFFFAOYSA-N
XLogP0.69
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-bromopropyl)-1,2-oxazole-3-carboxylic acid
CID 90326182
5-[3-(3,4-dichlorophenyl)propyl]-1,2-oxazole-3-carboxylic acid
CID 90326373
5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 131122642
5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid
CID 123347275
5-(2,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid
CID 175566101
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid
CID 67426969
5-[(dibutylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397880
5-[(4-hydroxybutylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 106842840
5-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397938
5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397567
5-(2-hydroxyethylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397277
5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103238258

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-1,2-oxazole-3-carboxylic acid;hydrochloride?
The IUPAC name of 5-(3-aminopropyl)-1,2-oxazole-3-carboxylic acid;hydrochloride (CID 146150203) is 5-(3-aminopropyl)-1,2-oxazole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(3-aminopropyl)-1,2-oxazole-3-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(3-aminopropyl)-1,2-oxazole-3-carboxylic acid;hydrochloride is Cl.NCCCc1cc(C(=O)O)no1.
What is the InChIKey of 5-(3-aminopropyl)-1,2-oxazole-3-carboxylic acid;hydrochloride?
The InChIKey is GMHGPKLHWIFYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3.ClH/c8-3-1-2-5-4-6(7(10)11)9-12-5;/h4H,1-3,8H2,(H,10,11);1H.
What are the key properties of 5-(3-aminopropyl)-1,2-oxazole-3-carboxylic acid;hydrochloride?
5-(3-aminopropyl)-1,2-oxazole-3-carboxylic acid;hydrochloride has a molecular weight of 206.63 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-1,2-oxazole-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 146150203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).