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

C15H19ClN2O2 — CID 19038091

IUPAC3-(1-methylpiperidin-3-yl)oxy-5-phenyl-1,2-oxazole;hydrochloride
SMILESCN1CCCC(Oc2cc(-c3ccccc3)on2)C1.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-17-9-5-8-13(11-17)18-15-10-14(19-16-15)12-6-3-2-4-7-12;/h2-4,6-7,10,13H,5,8-9,11H2,1H3;1H
InChIKeyZOEIDWRQFVJMMH-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.24
Rot. Bonds3

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

3-(1-methylpiperidin-3-yl)oxy-5-phenyl-1,2-oxazole;hydrochloride (PubChem CID 19038091) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 3-(1-methylpiperidin-3-yl)oxy-5-phenyl-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name3-(1-methylpiperidin-3-yl)oxy-5-phenyl-1,2-oxazole;hydrochloride
PubChem CID19038091
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name3-(1-methylpiperidin-3-yl)oxy-5-phenyl-1,2-oxazole;hydrochloride
SMILESCN1CCCC(Oc2cc(-c3ccccc3)on2)C1.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-17-9-5-8-13(11-17)18-15-10-14(19-16-15)12-6-3-2-4-7-12;/h2-4,6-7,10,13H,5,8-9,11H2,1H3;1H
InChIKeyZOEIDWRQFVJMMH-UHFFFAOYSA-N
XLogP3.24
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-3-yl)oxy-5-phenyl-1,2-oxazole;hydrochloride?
The IUPAC name of 3-(1-methylpiperidin-3-yl)oxy-5-phenyl-1,2-oxazole;hydrochloride (CID 19038091) is 3-(1-methylpiperidin-3-yl)oxy-5-phenyl-1,2-oxazole;hydrochloride.
What is the SMILES notation for 3-(1-methylpiperidin-3-yl)oxy-5-phenyl-1,2-oxazole;hydrochloride?
The canonical SMILES for 3-(1-methylpiperidin-3-yl)oxy-5-phenyl-1,2-oxazole;hydrochloride is CN1CCCC(Oc2cc(-c3ccccc3)on2)C1.Cl.
What is the InChIKey of 3-(1-methylpiperidin-3-yl)oxy-5-phenyl-1,2-oxazole;hydrochloride?
The InChIKey is ZOEIDWRQFVJMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.ClH/c1-17-9-5-8-13(11-17)18-15-10-14(19-16-15)12-6-3-2-4-7-12;/h2-4,6-7,10,13H,5,8-9,11H2,1H3;1H.
What are the key properties of 3-(1-methylpiperidin-3-yl)oxy-5-phenyl-1,2-oxazole;hydrochloride?
3-(1-methylpiperidin-3-yl)oxy-5-phenyl-1,2-oxazole;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-3-yl)oxy-5-phenyl-1,2-oxazole;hydrochloride is sourced from PubChem (CID 19038091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).