(5S)-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one

C12H13N5O2 — CID 97147233

IUPAC(5S)-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESCc1ccc(-c2noc([C@H]3CCC(=O)NC3)n2)nn1
InChIInChI=1S/C12H13N5O2/c1-7-2-4-9(16-15-7)11-14-12(19-17-11)8-3-5-10(18)13-6-8/h2,4,8H,3,5-6H2,1H3,(H,13,18)/t8-/m0/s1
InChIKeyJHTSEPSOKWJNCX-QMMMGPOBSA-N
MW259.27 g/mol
LogP0.83
Rot. Bonds2

About (5S)-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one

(5S)-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one (PubChem CID 97147233) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is (5S)-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
PubChem CID97147233
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name(5S)-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESCc1ccc(-c2noc([C@H]3CCC(=O)NC3)n2)nn1
InChIInChI=1S/C12H13N5O2/c1-7-2-4-9(16-15-7)11-14-12(19-17-11)8-3-5-10(18)13-6-8/h2,4,8H,3,5-6H2,1H3,(H,13,18)/t8-/m0/s1
InChIKeyJHTSEPSOKWJNCX-QMMMGPOBSA-N
XLogP0.83
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 156589446
5-(1-methylazepan-2-yl)-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 70709448
5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 127318357
5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436231
(5S)-5-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 129489931
3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 113329250
4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 103375309
5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride
CID 72716128
5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole
CID 171503811
cis-(1S,3R)-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323669
5-cyclopropyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole
CID 127869209
3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 70732333

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The IUPAC name of (5S)-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one (CID 97147233) is (5S)-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one.
What is the SMILES notation for (5S)-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The canonical SMILES for (5S)-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one is Cc1ccc(-c2noc([C@H]3CCC(=O)NC3)n2)nn1.
What is the InChIKey of (5S)-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The InChIKey is JHTSEPSOKWJNCX-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-7-2-4-9(16-15-7)11-14-12(19-17-11)8-3-5-10(18)13-6-8/h2,4,8H,3,5-6H2,1H3,(H,13,18)/t8-/m0/s1.
What are the key properties of (5S)-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one?
(5S)-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one has a molecular weight of 259.27 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one is sourced from PubChem (CID 97147233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).