5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

C15H22N6O2 — CID 70712419

IUPAC5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nccn1CCC1CCCCN1Cc1nc(C(N)=O)no1
InChIInChI=1S/C15H22N6O2/c1-11-17-6-9-20(11)8-5-12-4-2-3-7-21(12)10-13-18-15(14(16)22)19-23-13/h6,9,12H,2-5,7-8,10H2,1H3,(H2,16,22)
InChIKeyLKPGIHVBHYMZGK-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.12
Rot. Bonds6

About 5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 70712419) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID70712419
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nccn1CCC1CCCCN1Cc1nc(C(N)=O)no1
InChIInChI=1S/C15H22N6O2/c1-11-17-6-9-20(11)8-5-12-4-2-3-7-21(12)10-13-18-15(14(16)22)19-23-13/h6,9,12H,2-5,7-8,10H2,1H3,(H2,16,22)
InChIKeyLKPGIHVBHYMZGK-UHFFFAOYSA-N
XLogP1.12
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide with MolForge

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Related Compounds

3-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 70772970
5-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 56886725
2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 124842082
2-[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-2-yl]ethanol
CID 62020294
(2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 124754791
2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
CID 131896236
8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline
CID 131921149
N-(2-methoxyphenyl)-2-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]acetamide
CID 91832346
5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine
CID 70728855
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 86285447
1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 63388388
1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 25449787

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 70712419) is 5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is Cc1nccn1CCC1CCCCN1Cc1nc(C(N)=O)no1.
What is the InChIKey of 5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is LKPGIHVBHYMZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-11-17-6-9-20(11)8-5-12-4-2-3-7-21(12)10-13-18-15(14(16)22)19-23-13/h6,9,12H,2-5,7-8,10H2,1H3,(H2,16,22).
What are the key properties of 5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 70712419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).