methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate;hydrochloride

C10H15ClN2O3 — CID 136574247

IUPACmethyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate;hydrochloride
SMILESCOC(=O)c1ncoc1C1CCNCC1.Cl
InChIInChI=1S/C10H14N2O3.ClH/c1-14-10(13)8-9(15-6-12-8)7-2-4-11-5-3-7;/h6-7,11H,2-5H2,1H3;1H
InChIKeyQDMFFZPPVGROOW-UHFFFAOYSA-N
MW246.69 g/mol
LogP1.35
Rot. Bonds2

About methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate;hydrochloride

methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate;hydrochloride (PubChem CID 136574247) has the molecular formula C10H15ClN2O3 and a molecular weight of 246.69 g/mol. Its IUPAC name is methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate;hydrochloride
PubChem CID136574247
Molecular FormulaC10H15ClN2O3
Molecular Weight246.69 g/mol
Exact Mass246.08
IUPAC Namemethyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate;hydrochloride
SMILESCOC(=O)c1ncoc1C1CCNCC1.Cl
InChIInChI=1S/C10H14N2O3.ClH/c1-14-10(13)8-9(15-6-12-8)7-2-4-11-5-3-7;/h6-7,11H,2-5H2,1H3;1H
InChIKeyQDMFFZPPVGROOW-UHFFFAOYSA-N
XLogP1.35
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate;hydrochloride?
The IUPAC name of methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate;hydrochloride (CID 136574247) is methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate;hydrochloride is COC(=O)c1ncoc1C1CCNCC1.Cl.
What is the InChIKey of methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate;hydrochloride?
The InChIKey is QDMFFZPPVGROOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3.ClH/c1-14-10(13)8-9(15-6-12-8)7-2-4-11-5-3-7;/h6-7,11H,2-5H2,1H3;1H.
What are the key properties of methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate;hydrochloride?
methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate;hydrochloride has a molecular weight of 246.69 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 136574247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).