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

C13H15N3O2 — CID 135973873

IUPAC4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol
SMILESOc1ccc(-c2noc(C3CCCCN3)n2)cc1
InChIInChI=1S/C13H15N3O2/c17-10-6-4-9(5-7-10)12-15-13(18-16-12)11-3-1-2-8-14-11/h4-7,11,14,17H,1-3,8H2
InChIKeyAYNUWZZHCURFOX-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.26
Rot. Bonds2

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

4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol (PubChem CID 135973873) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol.

Molecular Properties

Compound Name4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol
PubChem CID135973873
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol
SMILESOc1ccc(-c2noc(C3CCCCN3)n2)cc1
InChIInChI=1S/C13H15N3O2/c17-10-6-4-9(5-7-10)12-15-13(18-16-12)11-3-1-2-8-14-11/h4-7,11,14,17H,1-3,8H2
InChIKeyAYNUWZZHCURFOX-UHFFFAOYSA-N
XLogP2.26
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655
5-(azepan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 64560736
6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol
CID 137054165
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
3-(4-ethylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43627432
2,6-dimethyl-4-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 136854683
3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914944
3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 43627431
4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136896348
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332
5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-yl-1,2,4-oxadiazole
CID 104914946
2-fluoro-4-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 136810089

Frequently Asked Questions

What is the IUPAC name of 4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol?
The IUPAC name of 4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol (CID 135973873) is 4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol.
What is the SMILES notation for 4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol?
The canonical SMILES for 4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol is Oc1ccc(-c2noc(C3CCCCN3)n2)cc1.
What is the InChIKey of 4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol?
The InChIKey is AYNUWZZHCURFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-10-6-4-9(5-7-10)12-15-13(18-16-12)11-3-1-2-8-14-11/h4-7,11,14,17H,1-3,8H2.
What are the key properties of 4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol?
4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol has a molecular weight of 245.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol is sourced from PubChem (CID 135973873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).