5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid

C11H16N2O3 — CID 103268286

IUPAC5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCC(NCc1cc(C(=O)O)no1)C1CCC1
InChIInChI=1S/C11H16N2O3/c1-7(8-3-2-4-8)12-6-9-5-10(11(14)15)13-16-9/h5,7-8,12H,2-4,6H2,1H3,(H,14,15)
InChIKeyIKTDXMQMCPFKNP-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.65
Rot. Bonds5

About 5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid

5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 103268286) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID103268286
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCC(NCc1cc(C(=O)O)no1)C1CCC1
InChIInChI=1S/C11H16N2O3/c1-7(8-3-2-4-8)12-6-9-5-10(11(14)15)13-16-9/h5,7-8,12H,2-4,6H2,1H3,(H,14,15)
InChIKeyIKTDXMQMCPFKNP-UHFFFAOYSA-N
XLogP1.65
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1-(oxolan-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103268155
5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103246275
1-cyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 115677284
5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103259950
5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 103249941
5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103242352
5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103257810
5-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103242811
5-[[(2-hydroxycycloheptyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103262940
5-[[(2-ethylcyclohexyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103246776
6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904668
5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103264279

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid (CID 103268286) is 5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid is CC(NCc1cc(C(=O)O)no1)C1CCC1.
What is the InChIKey of 5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is IKTDXMQMCPFKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(8-3-2-4-8)12-6-9-5-10(11(14)15)13-16-9/h5,7-8,12H,2-4,6H2,1H3,(H,14,15).
What are the key properties of 5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 103268286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).