5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one

C12H13N5O2 — CID 107436231

IUPAC5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESCc1cccc(-c2noc(C3CNC(=O)CN3)n2)n1
InChIInChI=1S/C12H13N5O2/c1-7-3-2-4-8(15-7)11-16-12(19-17-11)9-5-14-10(18)6-13-9/h2-4,9,13H,5-6H2,1H3,(H,14,18)
InChIKeyYUDGVQVQTBHWFM-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.20
Rot. Bonds2

About 5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one

5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one (PubChem CID 107436231) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one.

Molecular Properties

Compound Name5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
PubChem CID107436231
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESCc1cccc(-c2noc(C3CNC(=O)CN3)n2)n1
InChIInChI=1S/C12H13N5O2/c1-7-3-2-4-8(15-7)11-16-12(19-17-11)9-5-14-10(18)6-13-9/h2-4,9,13H,5-6H2,1H3,(H,14,18)
InChIKeyYUDGVQVQTBHWFM-UHFFFAOYSA-N
XLogP0.20
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one
CID 107436572
5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107435991
(3S,5S)-5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912294
5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114350998
5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride
CID 72716128
5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 107070924
5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436173
5-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436114
5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one
CID 107436533
5-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436312
5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436079
5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436401

Frequently Asked Questions

What is the IUPAC name of 5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The IUPAC name of 5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one (CID 107436231) is 5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one.
What is the SMILES notation for 5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The canonical SMILES for 5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one is Cc1cccc(-c2noc(C3CNC(=O)CN3)n2)n1.
What is the InChIKey of 5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The InChIKey is YUDGVQVQTBHWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-7-3-2-4-8(15-7)11-16-12(19-17-11)9-5-14-10(18)6-13-9/h2-4,9,13H,5-6H2,1H3,(H,14,18).
What are the key properties of 5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one has a molecular weight of 259.27 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one is sourced from PubChem (CID 107436231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).