2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid

C11H16N2O3 — CID 115085637

IUPAC2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid
SMILESCCN1CCCC(c2ncc(C(=O)O)o2)C1
InChIInChI=1S/C11H16N2O3/c1-2-13-5-3-4-8(7-13)10-12-6-9(16-10)11(14)15/h6,8H,2-5,7H2,1H3,(H,14,15)
InChIKeyYOVSFNYNZLTOBI-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.57
Rot. Bonds3

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

2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid (PubChem CID 115085637) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid
PubChem CID115085637
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid
SMILESCCN1CCCC(c2ncc(C(=O)O)o2)C1
InChIInChI=1S/C11H16N2O3/c1-2-13-5-3-4-8(7-13)10-12-6-9(16-10)11(14)15/h6,8H,2-5,7H2,1H3,(H,14,15)
InChIKeyYOVSFNYNZLTOBI-UHFFFAOYSA-N
XLogP1.57
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]acetic acid
CID 115085641
1-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
CID 115085623
3-[2-(1-ethylpiperidin-3-yl)-1,3-thiazol-5-yl]propanoic acid
CID 115090461
3-(1-ethylpiperidin-3-yl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140157
3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081722
4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid
CID 110120079
2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid
CID 83879757
5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62829355
1-[(3S)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone
CID 125006336
3-(1-ethylpiperidin-3-yl)imidazo[1,5-a]pyridin-6-ol
CID 117139032
1-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-4-yl]ethanol
CID 115082600
1-[3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 115080085

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid (CID 115085637) is 2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid is CCN1CCCC(c2ncc(C(=O)O)o2)C1.
What is the InChIKey of 2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is YOVSFNYNZLTOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-13-5-3-4-8(7-13)10-12-6-9(16-10)11(14)15/h6,8H,2-5,7H2,1H3,(H,14,15).
What are the key properties of 2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid?
2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 115085637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).