3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol

C14H17N3O2 — CID 107921243

IUPAC3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(CC3CCCNC3)n2)c1
InChIInChI=1S/C14H17N3O2/c18-12-5-1-4-11(8-12)14-16-13(19-17-14)7-10-3-2-6-15-9-10/h1,4-5,8,10,15,18H,2-3,6-7,9H2
InChIKeyQGHZARJFXHYNQX-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.98
Rot. Bonds3

About 3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol

3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 107921243) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID107921243
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(CC3CCCNC3)n2)c1
InChIInChI=1S/C14H17N3O2/c18-12-5-1-4-11(8-12)14-16-13(19-17-14)7-10-3-2-6-15-9-10/h1,4-5,8,10,15,18H,2-3,6-7,9H2
InChIKeyQGHZARJFXHYNQX-UHFFFAOYSA-N
XLogP1.98
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 113310677
3-(3-fluoro-4-methylphenyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62689952
3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921225
5-(azepan-4-ylmethyl)-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120835096
3-(2-methylphenyl)-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 94540047
4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840369
5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 64612280
3-pyridin-3-yl-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120836941
3-(piperidin-3-ylmethyl)phenol
CID 57155980
5-(azepan-4-ylmethyl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120839379
3-(3-ethyl-2-pyridinyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 82730556
[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 115078486

Frequently Asked Questions

What is the IUPAC name of 3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol (CID 107921243) is 3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol is Oc1cccc(-c2noc(CC3CCCNC3)n2)c1.
What is the InChIKey of 3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is QGHZARJFXHYNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-12-5-1-4-11(8-12)14-16-13(19-17-14)7-10-3-2-6-15-9-10/h1,4-5,8,10,15,18H,2-3,6-7,9H2.
What are the key properties of 3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 259.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 107921243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).