3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole

C10H13N5O — CID 129368246

IUPAC3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
SMILESc1cc(-c2nc([C@H]3CCCCN3)no2)[nH]n1
InChIInChI=1S/C10H13N5O/c1-2-5-11-7(3-1)9-13-10(16-15-9)8-4-6-12-14-8/h4,6-7,11H,1-3,5H2,(H,12,14)/t7-/m1/s1
InChIKeyJKHMQNYZLIJBMG-SSDOTTSWSA-N
MW219.25 g/mol
LogP1.27
Rot. Bonds2

About 3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole

3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 129368246) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
PubChem CID129368246
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
SMILESc1cc(-c2nc([C@H]3CCCCN3)no2)[nH]n1
InChIInChI=1S/C10H13N5O/c1-2-5-11-7(3-1)9-13-10(16-15-9)8-4-6-12-14-8/h4,6-7,11H,1-3,5H2,(H,12,14)/t7-/m1/s1
InChIKeyJKHMQNYZLIJBMG-SSDOTTSWSA-N
XLogP1.27
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
CID 136920524
5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916016
5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 106753992
3-(azepan-2-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 104541119
3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
CID 104615591
3-(azepan-2-yl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 104541146
5-(4-methoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916010
3-(azepan-2-yl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 103972133
5-(3-chloro-2-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 81262903
3-(azepan-2-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazole
CID 103972221
3-(azepan-2-yl)-5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazole
CID 103972200
5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 55204134

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole (CID 129368246) is 3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole is c1cc(-c2nc([C@H]3CCCCN3)no2)[nH]n1.
What is the InChIKey of 3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is JKHMQNYZLIJBMG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13N5O/c1-2-5-11-7(3-1)9-13-10(16-15-9)8-4-6-12-14-8/h4,6-7,11H,1-3,5H2,(H,12,14)/t7-/m1/s1.
What are the key properties of 3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole?
3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 219.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 129368246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).