3-(1H-imidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride

C11H16ClN5O — CID 137101480

IUPAC3-(1H-imidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCC1(c2nc(-c3ncc[nH]3)no2)CCCCN1.Cl
InChIInChI=1S/C11H15N5O.ClH/c1-11(4-2-3-5-14-11)10-15-9(16-17-10)8-12-6-7-13-8;/h6-7,14H,2-5H2,1H3,(H,12,13);1H
InChIKeyAZCDDBYVKDPLTE-UHFFFAOYSA-N
MW269.74 g/mol
LogP1.87
Rot. Bonds2

About 3-(1H-imidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride

3-(1H-imidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 137101480) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID137101480
Molecular FormulaC11H16ClN5O
Molecular Weight269.74 g/mol
Exact Mass269.10
IUPAC Name3-(1H-imidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCC1(c2nc(-c3ncc[nH]3)no2)CCCCN1.Cl
InChIInChI=1S/C11H15N5O.ClH/c1-11(4-2-3-5-14-11)10-15-9(16-17-10)8-12-6-7-13-8;/h6-7,14H,2-5H2,1H3,(H,12,13);1H
InChIKeyAZCDDBYVKDPLTE-UHFFFAOYSA-N
XLogP1.87
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylimidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 113430976
N,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120842058
3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 104597623
3-(2-bromo-3,4-difluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107537223
3-(3,4-dichlorophenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 81491739
3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107922430
3-(1-methoxycycloheptyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116743183
5-(2-methylpiperidin-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120839329
5-(2-azaspiro[4.5]decan-4-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole
CID 138006780
3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120840882
3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116741448
3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 104880852

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(1H-imidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride (CID 137101480) is 3-(1H-imidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(1H-imidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride is CC1(c2nc(-c3ncc[nH]3)no2)CCCCN1.Cl.
What is the InChIKey of 3-(1H-imidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is AZCDDBYVKDPLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O.ClH/c1-11(4-2-3-5-14-11)10-15-9(16-17-10)8-12-6-7-13-8;/h6-7,14H,2-5H2,1H3,(H,12,13);1H.
What are the key properties of 3-(1H-imidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride?
3-(1H-imidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 269.74 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 137101480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).