3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole

C15H23N3O — CID 107071027

IUPAC3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCC1CCCNC1c1nc(C2CC3CCC2C3)no1
InChIInChI=1S/C15H23N3O/c1-9-3-2-6-16-13(9)15-17-14(18-19-15)12-8-10-4-5-11(12)7-10/h9-13,16H,2-8H2,1H3
InChIKeyKTJZNXVCVYIJRC-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds2

About 3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole

3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 107071027) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID107071027
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCC1CCCNC1c1nc(C2CC3CCC2C3)no1
InChIInChI=1S/C15H23N3O/c1-9-3-2-6-16-13(9)15-17-14(18-19-15)12-8-10-4-5-11(12)7-10/h9-13,16H,2-8H2,1H3
InChIKeyKTJZNXVCVYIJRC-UHFFFAOYSA-N
XLogP3.03
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole
CID 107070929
3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070948
3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900655
3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070952
3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780786
3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915001
3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070855
3-cyclooctyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781089
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070934
2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972015
3-(1-ethoxycyclopentyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107071052
4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136896348

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole (CID 107071027) is 3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole is CC1CCCNC1c1nc(C2CC3CCC2C3)no1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is KTJZNXVCVYIJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9-3-2-6-16-13(9)15-17-14(18-19-15)12-8-10-4-5-11(12)7-10/h9-13,16H,2-8H2,1H3.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 261.37 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 107071027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).