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

C18H29N5O — CID 70772970

IUPAC3-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCc1nccn1CCC1CCCCN1Cc1noc(CC(C)C)n1
InChIInChI=1S/C18H29N5O/c1-14(2)12-18-20-17(21-24-18)13-23-9-5-4-6-16(23)7-10-22-11-8-19-15(22)3/h8,11,14,16H,4-7,9-10,12-13H2,1-3H3
InChIKeyPPOMONCOEQXBDE-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.22
Rot. Bonds7

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

3-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole (PubChem CID 70772970) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
PubChem CID70772970
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name3-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCc1nccn1CCC1CCCCN1Cc1noc(CC(C)C)n1
InChIInChI=1S/C18H29N5O/c1-14(2)12-18-20-17(21-24-18)13-23-9-5-4-6-16(23)7-10-22-11-8-19-15(22)3/h8,11,14,16H,4-7,9-10,12-13H2,1-3H3
InChIKeyPPOMONCOEQXBDE-UHFFFAOYSA-N
XLogP3.22
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 70712419
2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
CID 131896236
5-(2-methylpropyl)-3-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95609560
(2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 124754791
2-[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-2-yl]ethanol
CID 62020294
methyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate
CID 79832899
8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline
CID 131921149
2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol
CID 62021392
5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine
CID 70728855
N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-2-yl]ethanamine
CID 63854336
[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

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole (CID 70772970) is 3-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole is Cc1nccn1CCC1CCCCN1Cc1noc(CC(C)C)n1.
What is the InChIKey of 3-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole?
The InChIKey is PPOMONCOEQXBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-14(2)12-18-20-17(21-24-18)13-23-9-5-4-6-16(23)7-10-22-11-8-19-15(22)3/h8,11,14,16H,4-7,9-10,12-13H2,1-3H3.
What are the key properties of 3-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole?
3-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole has a molecular weight of 331.46 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 70772970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).