5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride

C10H15ClN2O3 — CID 119031854

IUPAC5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc(CN2CCCCC2)on1
InChIInChI=1S/C10H14N2O3.ClH/c13-10(14)9-6-8(15-11-9)7-12-4-2-1-3-5-12;/h6H,1-5,7H2,(H,13,14);1H
InChIKeyLHVNJVPXFMDUBX-UHFFFAOYSA-N
MW246.69 g/mol
LogP1.78
Rot. Bonds3

About 5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride

5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride (PubChem CID 119031854) has the molecular formula C10H15ClN2O3 and a molecular weight of 246.69 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride
PubChem CID119031854
Molecular FormulaC10H15ClN2O3
Molecular Weight246.69 g/mol
Exact Mass246.08
IUPAC Name5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc(CN2CCCCC2)on1
InChIInChI=1S/C10H14N2O3.ClH/c13-10(14)9-6-8(15-11-9)7-12-4-2-1-3-5-12;/h6H,1-5,7H2,(H,13,14);1H
InChIKeyLHVNJVPXFMDUBX-UHFFFAOYSA-N
XLogP1.78
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride?
The IUPAC name of 5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride (CID 119031854) is 5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1cc(CN2CCCCC2)on1.
What is the InChIKey of 5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride?
The InChIKey is LHVNJVPXFMDUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3.ClH/c13-10(14)9-6-8(15-11-9)7-12-4-2-1-3-5-12;/h6H,1-5,7H2,(H,13,14);1H.
What are the key properties of 5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride?
5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride has a molecular weight of 246.69 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 119031854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).