3-[3-(1-hydroxy-2-piperidin-1-ylethyl)-1,2-oxazol-5-yl]phenol

C16H20N2O3 — CID 3041355

IUPAC3-[3-(1-hydroxy-2-piperidin-1-ylethyl)-1,2-oxazol-5-yl]phenol
SMILESOc1cccc(-c2cc(C(O)CN3CCCCC3)no2)c1
InChIInChI=1S/C16H20N2O3/c19-13-6-4-5-12(9-13)16-10-14(17-21-16)15(20)11-18-7-2-1-3-8-18/h4-6,9-10,15,19-20H,1-3,7-8,11H2
InChIKeyLZBDCVGJJINJGX-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.57
Rot. Bonds4

About 3-[3-(1-hydroxy-2-piperidin-1-ylethyl)-1,2-oxazol-5-yl]phenol

3-[3-(1-hydroxy-2-piperidin-1-ylethyl)-1,2-oxazol-5-yl]phenol (PubChem CID 3041355) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[3-(1-hydroxy-2-piperidin-1-ylethyl)-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(1-hydroxy-2-piperidin-1-ylethyl)-1,2-oxazol-5-yl]phenol
PubChem CID3041355
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[3-(1-hydroxy-2-piperidin-1-ylethyl)-1,2-oxazol-5-yl]phenol
SMILESOc1cccc(-c2cc(C(O)CN3CCCCC3)no2)c1
InChIInChI=1S/C16H20N2O3/c19-13-6-4-5-12(9-13)16-10-14(17-21-16)15(20)11-18-7-2-1-3-8-18/h4-6,9-10,15,19-20H,1-3,7-8,11H2
InChIKeyLZBDCVGJJINJGX-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-hydroxy-2-piperidin-1-ylethyl)-1,2-oxazol-5-yl]phenol?
The IUPAC name of 3-[3-(1-hydroxy-2-piperidin-1-ylethyl)-1,2-oxazol-5-yl]phenol (CID 3041355) is 3-[3-(1-hydroxy-2-piperidin-1-ylethyl)-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 3-[3-(1-hydroxy-2-piperidin-1-ylethyl)-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 3-[3-(1-hydroxy-2-piperidin-1-ylethyl)-1,2-oxazol-5-yl]phenol is Oc1cccc(-c2cc(C(O)CN3CCCCC3)no2)c1.
What is the InChIKey of 3-[3-(1-hydroxy-2-piperidin-1-ylethyl)-1,2-oxazol-5-yl]phenol?
The InChIKey is LZBDCVGJJINJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-13-6-4-5-12(9-13)16-10-14(17-21-16)15(20)11-18-7-2-1-3-8-18/h4-6,9-10,15,19-20H,1-3,7-8,11H2.
What are the key properties of 3-[3-(1-hydroxy-2-piperidin-1-ylethyl)-1,2-oxazol-5-yl]phenol?
3-[3-(1-hydroxy-2-piperidin-1-ylethyl)-1,2-oxazol-5-yl]phenol has a molecular weight of 288.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-hydroxy-2-piperidin-1-ylethyl)-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 3041355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).