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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Related Compounds

(5-Phenyl-1,2-oxazol-3-yl)methanol
CID 1481082
Perisoxal
CID 71109
1-Piperidineethanol, alpha-(5-phenyl-3-isoxazolyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (2:1)
CID 167180
1-(3-Phenyl-1,2-oxazol-5-yl)-2-(piperidin-1-yl)ethan-1-ol--hydrogen chloride (1/1)
CID 201878
[5-(3-Hydroxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone
CID 5309106
5-(3-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 22427450
3-(3,5-Dimethyl-1,2-oxazol-4-yl)-5-(morpholin-4-ylmethyl)phenol
CID 145963629
1-Piperidineethanol, 4-hydroxy-alpha-(5-phenyl-3-isoxazolyl)-
CID 3043482
1-Piperidineethanol, 3-hydroxy-alpha-(5-phenyl-3-isoxazolyl)-
CID 3043483
5-(3-Hydroxyphenyl)isoxazol-3-yl morpholin-4-yl ketone
CID 5309272
3-(3,5-Dimethyl-1,2-oxazol-4-yl)-5-(piperidin-1-ylmethyl)phenol
CID 145962475
2-{5-[(3R,6R)-1-(Biphenyl-2-ylcarbonyl)-6-methylpiperidin-3-yl]isoxazol-3-yl}propan-2-ol
CID 121344728

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).