3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole

C11H14N4O — CID 136920524

IUPAC3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
SMILESc1c[nH]c(-c2nc(C3CCCCN3)no2)c1
InChIInChI=1S/C11H14N4O/c1-2-6-12-8(4-1)10-14-11(16-15-10)9-5-3-7-13-9/h3,5,7-8,12-13H,1-2,4,6H2
InChIKeyLIMJFDUFOOWTDB-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.88
Rot. Bonds2

About 3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole

3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole (PubChem CID 136920524) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
PubChem CID136920524
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
SMILESc1c[nH]c(-c2nc(C3CCCCN3)no2)c1
InChIInChI=1S/C11H14N4O/c1-2-6-12-8(4-1)10-14-11(16-15-10)9-5-3-7-13-9/h3,5,7-8,12-13H,1-2,4,6H2
InChIKeyLIMJFDUFOOWTDB-UHFFFAOYSA-N
XLogP1.88
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 129368246
5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916016
3-(azepan-2-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 104541119
3-(azepan-2-yl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 104541146
3-(azepan-2-yl)-5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazole
CID 114560805
5-(3-chloro-2-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 81262903
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
5-(4-methoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916010
5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 81461458
5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 106753992
3-(azepan-2-yl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 103972133

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole (CID 136920524) is 3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole is c1c[nH]c(-c2nc(C3CCCCN3)no2)c1.
What is the InChIKey of 3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole?
The InChIKey is LIMJFDUFOOWTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-6-12-8(4-1)10-14-11(16-15-10)9-5-3-7-13-9/h3,5,7-8,12-13H,1-2,4,6H2.
What are the key properties of 3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole?
3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole has a molecular weight of 218.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 136920524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).