5-phenyl-3-(2-piperidin-1-ylethoxy)-1,2-oxazole;5-phenyl-3-(2-piperidin-2-ylethoxy)-1,2-oxazole;hydrochloride

C32H41ClN4O4 — CID 160715651

IUPAC5-phenyl-3-(2-piperidin-1-ylethoxy)-1,2-oxazole;5-phenyl-3-(2-piperidin-2-ylethoxy)-1,2-oxazole;hydrochloride
SMILESCl.c1ccc(-c2cc(OCCC3CCCCN3)no2)cc1.c1ccc(-c2cc(OCCN3CCCCC3)no2)cc1
InChIInChI=1S/2C16H20N2O2.ClH/c1-3-7-14(8-4-1)15-13-16(17-20-15)19-12-11-18-9-5-2-6-10-18;1-2-6-13(7-3-1)15-12-16(18-20-15)19-11-9-14-8-4-5-10-17-14;/h1,3-4,7-8,13H,2,5-6,9-12H2;1-3,6-7,12,14,17H,4-5,8-11H2;1H
InChIKeyFOHBOIZUAFWXGK-UHFFFAOYSA-N
MW581.16 g/mol
LogP6.88
Rot. Bonds10

About 5-phenyl-3-(2-piperidin-1-ylethoxy)-1,2-oxazole;5-phenyl-3-(2-piperidin-2-ylethoxy)-1,2-oxazole;hydrochloride

5-phenyl-3-(2-piperidin-1-ylethoxy)-1,2-oxazole;5-phenyl-3-(2-piperidin-2-ylethoxy)-1,2-oxazole;hydrochloride (PubChem CID 160715651) has the molecular formula C32H41ClN4O4 and a molecular weight of 581.16 g/mol. Its IUPAC name is 5-phenyl-3-(2-piperidin-1-ylethoxy)-1,2-oxazole;5-phenyl-3-(2-piperidin-2-ylethoxy)-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name5-phenyl-3-(2-piperidin-1-ylethoxy)-1,2-oxazole;5-phenyl-3-(2-piperidin-2-ylethoxy)-1,2-oxazole;hydrochloride
PubChem CID160715651
Molecular FormulaC32H41ClN4O4
Molecular Weight581.16 g/mol
Exact Mass580.28
IUPAC Name5-phenyl-3-(2-piperidin-1-ylethoxy)-1,2-oxazole;5-phenyl-3-(2-piperidin-2-ylethoxy)-1,2-oxazole;hydrochloride
SMILESCl.c1ccc(-c2cc(OCCC3CCCCN3)no2)cc1.c1ccc(-c2cc(OCCN3CCCCC3)no2)cc1
InChIInChI=1S/2C16H20N2O2.ClH/c1-3-7-14(8-4-1)15-13-16(17-20-15)19-12-11-18-9-5-2-6-10-18;1-2-6-13(7-3-1)15-12-16(18-20-15)19-11-9-14-8-4-5-10-17-14;/h1,3-4,7-8,13H,2,5-6,9-12H2;1-3,6-7,12,14,17H,4-5,8-11H2;1H
InChIKeyFOHBOIZUAFWXGK-UHFFFAOYSA-N
XLogP6.88
TPSA85.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.16
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(2-piperidin-1-ylethoxy)-1,2-oxazole;5-phenyl-3-(2-piperidin-2-ylethoxy)-1,2-oxazole;hydrochloride?
The IUPAC name of 5-phenyl-3-(2-piperidin-1-ylethoxy)-1,2-oxazole;5-phenyl-3-(2-piperidin-2-ylethoxy)-1,2-oxazole;hydrochloride (CID 160715651) is 5-phenyl-3-(2-piperidin-1-ylethoxy)-1,2-oxazole;5-phenyl-3-(2-piperidin-2-ylethoxy)-1,2-oxazole;hydrochloride.
What is the SMILES notation for 5-phenyl-3-(2-piperidin-1-ylethoxy)-1,2-oxazole;5-phenyl-3-(2-piperidin-2-ylethoxy)-1,2-oxazole;hydrochloride?
The canonical SMILES for 5-phenyl-3-(2-piperidin-1-ylethoxy)-1,2-oxazole;5-phenyl-3-(2-piperidin-2-ylethoxy)-1,2-oxazole;hydrochloride is Cl.c1ccc(-c2cc(OCCC3CCCCN3)no2)cc1.c1ccc(-c2cc(OCCN3CCCCC3)no2)cc1.
What is the InChIKey of 5-phenyl-3-(2-piperidin-1-ylethoxy)-1,2-oxazole;5-phenyl-3-(2-piperidin-2-ylethoxy)-1,2-oxazole;hydrochloride?
The InChIKey is FOHBOIZUAFWXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H20N2O2.ClH/c1-3-7-14(8-4-1)15-13-16(17-20-15)19-12-11-18-9-5-2-6-10-18;1-2-6-13(7-3-1)15-12-16(18-20-15)19-11-9-14-8-4-5-10-17-14;/h1,3-4,7-8,13H,2,5-6,9-12H2;1-3,6-7,12,14,17H,4-5,8-11H2;1H.
What are the key properties of 5-phenyl-3-(2-piperidin-1-ylethoxy)-1,2-oxazole;5-phenyl-3-(2-piperidin-2-ylethoxy)-1,2-oxazole;hydrochloride?
5-phenyl-3-(2-piperidin-1-ylethoxy)-1,2-oxazole;5-phenyl-3-(2-piperidin-2-ylethoxy)-1,2-oxazole;hydrochloride has a molecular weight of 581.16 g/mol, XLogP of 6.88, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(2-piperidin-1-ylethoxy)-1,2-oxazole;5-phenyl-3-(2-piperidin-2-ylethoxy)-1,2-oxazole;hydrochloride is sourced from PubChem (CID 160715651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).