3-[3-(piperidin-1-ylmethyl)phenyl]-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole

C22H26N4O — CID 75453244

IUPAC3-[3-(piperidin-1-ylmethyl)phenyl]-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(c1cccnc1)c1nc(-c2cccc(CN3CCCCC3)c2)no1
InChIInChI=1S/C22H26N4O/c1-22(2,19-10-7-11-23-15-19)21-24-20(25-27-21)18-9-6-8-17(14-18)16-26-12-4-3-5-13-26/h6-11,14-15H,3-5,12-13,16H2,1-2H3
InChIKeyGSNYUBFTHXCDCC-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.44
Rot. Bonds5

About 3-[3-(piperidin-1-ylmethyl)phenyl]-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole

3-[3-(piperidin-1-ylmethyl)phenyl]-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole (PubChem CID 75453244) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-[3-(piperidin-1-ylmethyl)phenyl]-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-(piperidin-1-ylmethyl)phenyl]-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole
PubChem CID75453244
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name3-[3-(piperidin-1-ylmethyl)phenyl]-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(c1cccnc1)c1nc(-c2cccc(CN3CCCCC3)c2)no1
InChIInChI=1S/C22H26N4O/c1-22(2,19-10-7-11-23-15-19)21-24-20(25-27-21)18-9-6-8-17(14-18)16-26-12-4-3-5-13-26/h6-11,14-15H,3-5,12-13,16H2,1-2H3
InChIKeyGSNYUBFTHXCDCC-UHFFFAOYSA-N
XLogP4.44
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-cyclohexylbutan-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 167745043
5-(2-methylpiperidin-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120839329
3-(4-bromothiophen-2-yl)-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 75453241
2-(4-fluorophenyl)-2-[3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 120839370
3-[3-(piperidin-1-ylmethyl)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120839306
3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole
CID 154838471
5-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 129377806
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 59604058
5-(azepan-4-ylmethyl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120839379
3-[3-(piperidin-1-ylmethyl)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 166201264
5-(1-methylindazol-7-yl)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole
CID 171679738

Frequently Asked Questions

What is the IUPAC name of 3-[3-(piperidin-1-ylmethyl)phenyl]-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[3-(piperidin-1-ylmethyl)phenyl]-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole (CID 75453244) is 3-[3-(piperidin-1-ylmethyl)phenyl]-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-(piperidin-1-ylmethyl)phenyl]-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-(piperidin-1-ylmethyl)phenyl]-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole is CC(C)(c1cccnc1)c1nc(-c2cccc(CN3CCCCC3)c2)no1.
What is the InChIKey of 3-[3-(piperidin-1-ylmethyl)phenyl]-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is GSNYUBFTHXCDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-22(2,19-10-7-11-23-15-19)21-24-20(25-27-21)18-9-6-8-17(14-18)16-26-12-4-3-5-13-26/h6-11,14-15H,3-5,12-13,16H2,1-2H3.
What are the key properties of 3-[3-(piperidin-1-ylmethyl)phenyl]-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
3-[3-(piperidin-1-ylmethyl)phenyl]-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 362.48 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(piperidin-1-ylmethyl)phenyl]-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 75453244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).