5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-yl-1,2,4-oxadiazole

C15H15N5O — CID 104914946

IUPAC5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-yl-1,2,4-oxadiazole
SMILESc1cnc2cc(-c3noc([C@H]4CCCCN4)n3)ccc2n1
InChIInChI=1S/C15H15N5O/c1-2-6-16-12(3-1)15-19-14(20-21-15)10-4-5-11-13(9-10)18-8-7-17-11/h4-5,7-9,12,16H,1-3,6H2/t12-/m1/s1
InChIKeyMBBLSWVEMRQOPM-GFCCVEGCSA-N
MW281.32 g/mol
LogP2.49
Rot. Bonds2

About 5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-yl-1,2,4-oxadiazole

5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-yl-1,2,4-oxadiazole (PubChem CID 104914946) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-yl-1,2,4-oxadiazole
PubChem CID104914946
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-yl-1,2,4-oxadiazole
SMILESc1cnc2cc(-c3noc([C@H]4CCCCN4)n3)ccc2n1
InChIInChI=1S/C15H15N5O/c1-2-6-16-12(3-1)15-19-14(20-21-15)10-4-5-11-13(9-10)18-8-7-17-11/h4-5,7-9,12,16H,1-3,6H2/t12-/m1/s1
InChIKeyMBBLSWVEMRQOPM-GFCCVEGCSA-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

4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135973873
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
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332
3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93350964
5-[(2S)-piperidin-2-yl]-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole
CID 103832702
3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43109257
3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900526
3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914942
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 63317724
3-(4-ethylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43627432

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-yl-1,2,4-oxadiazole (CID 104914946) is 5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-yl-1,2,4-oxadiazole is c1cnc2cc(-c3noc([C@H]4CCCCN4)n3)ccc2n1.
What is the InChIKey of 5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-yl-1,2,4-oxadiazole?
The InChIKey is MBBLSWVEMRQOPM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-6-16-12(3-1)15-19-14(20-21-15)10-4-5-11-13(9-10)18-8-7-17-11/h4-5,7-9,12,16H,1-3,6H2/t12-/m1/s1.
What are the key properties of 5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-yl-1,2,4-oxadiazole?
5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-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 5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-yl-1,2,4-oxadiazole is sourced from PubChem (CID 104914946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).