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

C15H19N3O2 — CID 107921225

IUPAC3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(CCC3CCNCC3)n2)c1
InChIInChI=1S/C15H19N3O2/c19-13-3-1-2-12(10-13)15-17-14(20-18-15)5-4-11-6-8-16-9-7-11/h1-3,10-11,16,19H,4-9H2
InChIKeyNRPUNCQQTXUBIX-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.37
Rot. Bonds4

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

3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 107921225) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID107921225
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(CCC3CCNCC3)n2)c1
InChIInChI=1S/C15H19N3O2/c19-13-3-1-2-12(10-13)15-17-14(20-18-15)5-4-11-6-8-16-9-7-11/h1-3,10-11,16,19H,4-9H2
InChIKeyNRPUNCQQTXUBIX-UHFFFAOYSA-N
XLogP2.37
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol with MolForge

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Related Compounds

methyl 3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]benzoate;hydrochloride
CID 120841833
3-(3,5-dichlorophenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 104880665
3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 113310677
5-(2-piperidin-4-ylethyl)-3-[3-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120840531
3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921243
3-(4-ethylphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62216212
3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 71261689
5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895516
3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol
CID 78953778
3-(3-bromo-4-methylphenyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 104880995
3-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]phenol
CID 62503643
3-(1-methylpyrazol-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65196262

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol (CID 107921225) is 3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol is Oc1cccc(-c2noc(CCC3CCNCC3)n2)c1.
What is the InChIKey of 3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is NRPUNCQQTXUBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-13-3-1-2-12(10-13)15-17-14(20-18-15)5-4-11-6-8-16-9-7-11/h1-3,10-11,16,19H,4-9H2.
What are the key properties of 3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 273.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 107921225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).