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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Related Compounds

3-(1-Benzyl-piperidin-4-ylmethoxy)-benzo[d]isoxazole
CID 10426283
Ethanamine, N,N-diethyl-2-(2-(3-methyl-5-isoxazolyl)phenoxy)-, monohydrochloride
CID 40904
3-[4-(1-Methylpyrrolidin-1-ium-1-yl)but-2-ynoxy]-5-phenyl-1,2-oxazole iodide
CID 44437258
(E)-but-2-enedioic acid;5-phenyl-3-(4-pyrrolidin-1-ylbut-2-ynoxy)-1,2-oxazole
CID 49797320
3-methyl-5-[(Z)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole
CID 60117311
Morpholine, 4-(2-(2-(2-(3-methyl-5-isoxazolyl)ethenyl)phenoxy)ethyl)-, monohydrochloride, (E)-
CID 6448478
Ethanamine, N,N-diethyl-2-(2-(2-(3-phenyl-5-isoxazolyl)ethenyl)phenoxy)-, monohydrochloride, (E)-
CID 6448525
3,5-Dimethyl-4-[(1-methylpiperidin-3-yl)oxy-(4-propan-2-ylphenyl)methyl]-1,2-oxazole
CID 44457775
N,N-dimethyl-4-[(5-phenyl-1,2-oxazol-3-yl)oxy]but-2-yn-1-amine;oxalic acid
CID 49797319
(5-phenyl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
CID 14054372
4-Chloro-3-(3-quinuclidinyloxy)-5-phenylisoxazole
CID 19038078
(S)-1-(3-(benzyloxy)isoxazol-5-yl)-N,N-dimethylprop-2-en-1-amine
CID 17756552

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).