1-[2-hydroxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]piperidin-3-ol

C16H20N2O3 — CID 3043483

IUPAC1-[2-hydroxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]piperidin-3-ol
SMILESOC1CCCN(CC(O)c2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C16H20N2O3/c19-13-7-4-8-18(10-13)11-15(20)14-9-16(21-17-14)12-5-2-1-3-6-12/h1-3,5-6,9,13,15,19-20H,4,7-8,10-11H2
InChIKeyHEERSSQDYHGIOT-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.83
Rot. Bonds4

About 1-[2-hydroxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]piperidin-3-ol

1-[2-hydroxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]piperidin-3-ol (PubChem CID 3043483) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-hydroxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]piperidin-3-ol
PubChem CID3043483
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[2-hydroxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]piperidin-3-ol
SMILESOC1CCCN(CC(O)c2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C16H20N2O3/c19-13-7-4-8-18(10-13)11-15(20)14-9-16(21-17-14)12-5-2-1-3-6-12/h1-3,5-6,9,13,15,19-20H,4,7-8,10-11H2
InChIKeyHEERSSQDYHGIOT-UHFFFAOYSA-N
XLogP1.83
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]piperidin-3-ol?
The IUPAC name of 1-[2-hydroxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]piperidin-3-ol (CID 3043483) is 1-[2-hydroxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]piperidin-3-ol.
What is the SMILES notation for 1-[2-hydroxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]piperidin-3-ol?
The canonical SMILES for 1-[2-hydroxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]piperidin-3-ol is OC1CCCN(CC(O)c2cc(-c3ccccc3)on2)C1.
What is the InChIKey of 1-[2-hydroxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]piperidin-3-ol?
The InChIKey is HEERSSQDYHGIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-13-7-4-8-18(10-13)11-15(20)14-9-16(21-17-14)12-5-2-1-3-6-12/h1-3,5-6,9,13,15,19-20H,4,7-8,10-11H2.
What are the key properties of 1-[2-hydroxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]piperidin-3-ol?
1-[2-hydroxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]piperidin-3-ol has a molecular weight of 288.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]piperidin-3-ol is sourced from PubChem (CID 3043483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).