3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole

C15H15N5O — CID 104615591

IUPAC3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
SMILESc1cc(-c2nc(C3CCCCN3)no2)c2nccnc2c1
InChIInChI=1S/C15H15N5O/c1-2-7-16-12(5-1)14-19-15(21-20-14)10-4-3-6-11-13(10)18-9-8-17-11/h3-4,6,8-9,12,16H,1-2,5,7H2
InChIKeyXKVVFNFPSOZDAS-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.49
Rot. Bonds2

About 3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole

3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole (PubChem CID 104615591) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
PubChem CID104615591
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
SMILESc1cc(-c2nc(C3CCCCN3)no2)c2nccnc2c1
InChIInChI=1S/C15H15N5O/c1-2-7-16-12(5-1)14-19-15(21-20-14)10-4-3-6-11-13(10)18-9-8-17-11/h3-4,6,8-9,12,16H,1-2,5,7H2
InChIKeyXKVVFNFPSOZDAS-UHFFFAOYSA-N
XLogP2.49
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 81461458
5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 55023638
5-(3-chloro-2-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 81262903
5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916016
3-(azepan-2-yl)-5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazole
CID 103972200
3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 129368246
3-(azepan-2-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 104541119
3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 63317724
5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317314
3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
CID 136920524
3-(azepan-2-yl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 104541146
5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 106753992

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole?
The IUPAC name of 3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole (CID 104615591) is 3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole is c1cc(-c2nc(C3CCCCN3)no2)c2nccnc2c1.
What is the InChIKey of 3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole?
The InChIKey is XKVVFNFPSOZDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-7-16-12(5-1)14-19-15(21-20-14)10-4-3-6-11-13(10)18-9-8-17-11/h3-4,6,8-9,12,16H,1-2,5,7H2.
What are the key properties of 3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole?
3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole has a molecular weight of 281.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole is sourced from PubChem (CID 104615591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).