5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole

C12H19N3O2 — CID 65330606

IUPAC5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCC1(c2nc(C3CCOC3)no2)CCCNC1
InChIInChI=1S/C12H19N3O2/c1-12(4-2-5-13-8-12)11-14-10(15-17-11)9-3-6-16-7-9/h9,13H,2-8H2,1H3
InChIKeyZLAHUKREWAMZFR-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.21
Rot. Bonds2

About 5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole

5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 65330606) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID65330606
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCC1(c2nc(C3CCOC3)no2)CCCNC1
InChIInChI=1S/C12H19N3O2/c1-12(4-2-5-13-8-12)11-14-10(15-17-11)9-3-6-16-7-9/h9,13H,2-8H2,1H3
InChIKeyZLAHUKREWAMZFR-UHFFFAOYSA-N
XLogP1.21
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97438471
3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145192
3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole
CID 72911854
3-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 104880788
5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115025293
3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 80601729
4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65330157
3-(2,3-dihydro-1H-inden-2-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 65413913
1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65332435
5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72912928
3-(cyclopentylsulfanylmethyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 65141422
5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97077225

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 65330606) is 5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is CC1(c2nc(C3CCOC3)no2)CCCNC1.
What is the InChIKey of 5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is ZLAHUKREWAMZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(4-2-5-13-8-12)11-14-10(15-17-11)9-3-6-16-7-9/h9,13H,2-8H2,1H3.
What are the key properties of 5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 237.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65330606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).