5-[[1-(oxolan-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid

C11H16N2O4 — CID 103268155

IUPAC5-[[1-(oxolan-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCC(NCc1cc(C(=O)O)no1)C1CCOC1
InChIInChI=1S/C11H16N2O4/c1-7(8-2-3-16-6-8)12-5-9-4-10(11(14)15)13-17-9/h4,7-8,12H,2-3,5-6H2,1H3,(H,14,15)
InChIKeyNELNKVRKJDCCLZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.89
Rot. Bonds5

About 5-[[1-(oxolan-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid

5-[[1-(oxolan-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 103268155) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-[[1-(oxolan-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(oxolan-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID103268155
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-[[1-(oxolan-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCC(NCc1cc(C(=O)O)no1)C1CCOC1
InChIInChI=1S/C11H16N2O4/c1-7(8-2-3-16-6-8)12-5-9-4-10(11(14)15)13-17-9/h4,7-8,12H,2-3,5-6H2,1H3,(H,14,15)
InChIKeyNELNKVRKJDCCLZ-UHFFFAOYSA-N
XLogP0.89
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103268286
5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103246275
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115684441
4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 113263165
1-cyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 115677284
2-[1-(oxolan-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 115707603
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
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 104696520
4-[[1-(oxolan-3-yl)ethylamino]methyl]benzene-1,2,3-triol
CID 103953590
2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115907787

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(oxolan-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[1-(oxolan-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid (CID 103268155) is 5-[[1-(oxolan-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[1-(oxolan-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[1-(oxolan-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid is CC(NCc1cc(C(=O)O)no1)C1CCOC1.
What is the InChIKey of 5-[[1-(oxolan-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is NELNKVRKJDCCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(8-2-3-16-6-8)12-5-9-4-10(11(14)15)13-17-9/h4,7-8,12H,2-3,5-6H2,1H3,(H,14,15).
What are the key properties of 5-[[1-(oxolan-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[1-(oxolan-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(oxolan-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 103268155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).