5-methyl-3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole;hydrochloride

C10H17ClN2O2 — CID 19038122

IUPAC5-methyl-3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole;hydrochloride
SMILESCc1cc(OC2CCN(C)CC2)no1.Cl
InChIInChI=1S/C10H16N2O2.ClH/c1-8-7-10(11-14-8)13-9-3-5-12(2)6-4-9;/h7,9H,3-6H2,1-2H3;1H
InChIKeyXHBBEUQLOKIHHV-UHFFFAOYSA-N
MW232.71 g/mol
LogP1.88
Rot. Bonds2

About 5-methyl-3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole;hydrochloride

5-methyl-3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole;hydrochloride (PubChem CID 19038122) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 5-methyl-3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name5-methyl-3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole;hydrochloride
PubChem CID19038122
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name5-methyl-3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole;hydrochloride
SMILESCc1cc(OC2CCN(C)CC2)no1.Cl
InChIInChI=1S/C10H16N2O2.ClH/c1-8-7-10(11-14-8)13-9-3-5-12(2)6-4-9;/h7,9H,3-6H2,1-2H3;1H
InChIKeyXHBBEUQLOKIHHV-UHFFFAOYSA-N
XLogP1.88
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole;hydrochloride?
The IUPAC name of 5-methyl-3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole;hydrochloride (CID 19038122) is 5-methyl-3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole;hydrochloride.
What is the SMILES notation for 5-methyl-3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole;hydrochloride?
The canonical SMILES for 5-methyl-3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole;hydrochloride is Cc1cc(OC2CCN(C)CC2)no1.Cl.
What is the InChIKey of 5-methyl-3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole;hydrochloride?
The InChIKey is XHBBEUQLOKIHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2.ClH/c1-8-7-10(11-14-8)13-9-3-5-12(2)6-4-9;/h7,9H,3-6H2,1-2H3;1H.
What are the key properties of 5-methyl-3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole;hydrochloride?
5-methyl-3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole;hydrochloride has a molecular weight of 232.71 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole;hydrochloride is sourced from PubChem (CID 19038122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).