5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole

C10H17N3O — CID 172900478

IUPAC5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCCCC2C)no1
InChIInChI=1S/C10H17N3O/c1-8-5-3-4-6-13(8)7-10-11-9(2)14-12-10/h8H,3-7H2,1-2H3
InChIKeyFQWCCZQAUHFEPH-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.75
Rot. Bonds2

About 5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole

5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 172900478) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID172900478
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCCCC2C)no1
InChIInChI=1S/C10H17N3O/c1-8-5-3-4-6-13(8)7-10-11-9(2)14-12-10/h8H,3-7H2,1-2H3
InChIKeyFQWCCZQAUHFEPH-UHFFFAOYSA-N
XLogP1.75
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 99857571
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazole
CID 91651007
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
CID 116637274
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanone
CID 63846365
2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol
CID 62020461
[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 130693812
2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111602292
2,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-one
CID 106402142
3-tert-butyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 94181815
5-methyl-3-[[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 110269409
2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine
CID 104892127
2-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine
CID 106418175

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (CID 172900478) is 5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is Cc1nc(CN2CCCCC2C)no1.
What is the InChIKey of 5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is FQWCCZQAUHFEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-5-3-4-6-13(8)7-10-11-9(2)14-12-10/h8H,3-7H2,1-2H3.
What are the key properties of 5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 195.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 172900478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).