3-(1-aminoethyl)-1,2-oxazole-5-carboxylic acid

C6H8N2O3 — CID 67395403

IUPAC3-(1-aminoethyl)-1,2-oxazole-5-carboxylic acid
SMILESCC(N)c1cc(C(=O)O)on1
InChIInChI=1S/C6H8N2O3/c1-3(7)4-2-5(6(9)10)11-8-4/h2-3H,7H2,1H3,(H,9,10)
InChIKeyVJLVGQWHWSTVQT-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.39
Rot. Bonds2

About 3-(1-aminoethyl)-1,2-oxazole-5-carboxylic acid

3-(1-aminoethyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 67395403) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-aminoethyl)-1,2-oxazole-5-carboxylic acid
PubChem CID67395403
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name3-(1-aminoethyl)-1,2-oxazole-5-carboxylic acid
SMILESCC(N)c1cc(C(=O)O)on1
InChIInChI=1S/C6H8N2O3/c1-3(7)4-2-5(6(9)10)11-8-4/h2-3H,7H2,1H3,(H,9,10)
InChIKeyVJLVGQWHWSTVQT-UHFFFAOYSA-N
XLogP0.39
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxylic acid
CID 130506929
methyl 3-[(1S)-1-amino-2-methylpropyl]-1,2-oxazole-5-carboxylate
CID 142637039
3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369219
N,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 130669877
3-[1-(1-propan-2-ylpyrrolidine-3-carbonyl)oxypropan-2-yl]-1,2-oxazole-5-carboxylic acid
CID 129167524
3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 106346904
3-[(1S)-1-aminoethyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;tert-butyl N-[(1S)-1-[5-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-1,2-oxazol-3-yl]ethyl]carbamate;3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylic acid;4-methyl-3-(trifluoromethyl)aniline
CID 158705662
lithium;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-N-hydroxy-1,2-oxazole-5-carboxamide;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid;1-benzofuran-2-carboxylic acid;ethyl 3-[(1R)-1-aminoethyl]-1,2-oxazole-5-carboxylate;ethyl 3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate;methanol;hydroxide;hydrochloride
CID 158984813
2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119209404
2-amino-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
CID 112716588
3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369564
1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167740

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(1-aminoethyl)-1,2-oxazole-5-carboxylic acid (CID 67395403) is 3-(1-aminoethyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-aminoethyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(1-aminoethyl)-1,2-oxazole-5-carboxylic acid is CC(N)c1cc(C(=O)O)on1.
What is the InChIKey of 3-(1-aminoethyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is VJLVGQWHWSTVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-3(7)4-2-5(6(9)10)11-8-4/h2-3H,7H2,1H3,(H,9,10).
What are the key properties of 3-(1-aminoethyl)-1,2-oxazole-5-carboxylic acid?
3-(1-aminoethyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 67395403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).