5-(piperidin-3-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid

C11H16N2O4 — CID 83212217

IUPAC5-(piperidin-3-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COCC2CCCNC2)on1
InChIInChI=1S/C11H16N2O4/c14-11(15)10-4-9(17-13-10)7-16-6-8-2-1-3-12-5-8/h4,8,12H,1-3,5-7H2,(H,14,15)
InChIKeyOIUQZSNESGABSS-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.89
Rot. Bonds5

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

5-(piperidin-3-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 83212217) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(piperidin-3-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(piperidin-3-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID83212217
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-(piperidin-3-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COCC2CCCNC2)on1
InChIInChI=1S/C11H16N2O4/c14-11(15)10-4-9(17-13-10)7-16-6-8-2-1-3-12-5-8/h4,8,12H,1-3,5-7H2,(H,14,15)
InChIKeyOIUQZSNESGABSS-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-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 66322137
3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole
CID 62371586
3-(furan-2-ylmethoxymethyl)piperidine
CID 24692949
N-cyclopropyl-5-(methoxymethyl)-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106628709
4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine
CID 94403087
methyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride
CID 56831193
3-(piperidin-3-ylmethoxymethyl)benzamide
CID 62340748
2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone
CID 97165742
5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397567
5-(piperidin-3-ylmethyl)-1,2-oxazol-3-amine
CID 115094202
methyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate
CID 83212715
5-(piperidin-3-ylmethyl)-1,2-oxazole-3-carbaldehyde
CID 115094215

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-3-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(piperidin-3-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid (CID 83212217) is 5-(piperidin-3-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(piperidin-3-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(piperidin-3-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(COCC2CCCNC2)on1.
What is the InChIKey of 5-(piperidin-3-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is OIUQZSNESGABSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-11(15)10-4-9(17-13-10)7-16-6-8-2-1-3-12-5-8/h4,8,12H,1-3,5-7H2,(H,14,15).
What are the key properties of 5-(piperidin-3-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid?
5-(piperidin-3-ylmethoxymethyl)-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-(piperidin-3-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 83212217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).