3-(1-methylimidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole

C12H17N5O — CID 113430976

IUPAC3-(1-methylimidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCn1ccnc1-c1noc(C2(C)CCCCN2)n1
InChIInChI=1S/C12H17N5O/c1-12(5-3-4-6-14-12)11-15-9(16-18-11)10-13-7-8-17(10)2/h7-8,14H,3-6H2,1-2H3
InChIKeyDKZUUMNHXJZOQR-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.46
Rot. Bonds2

About 3-(1-methylimidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole

3-(1-methylimidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 113430976) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID113430976
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-(1-methylimidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCn1ccnc1-c1noc(C2(C)CCCCN2)n1
InChIInChI=1S/C12H17N5O/c1-12(5-3-4-6-14-12)11-15-9(16-18-11)10-13-7-8-17(10)2/h7-8,14H,3-6H2,1-2H3
InChIKeyDKZUUMNHXJZOQR-UHFFFAOYSA-N
XLogP1.46
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1H-imidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 137101480
3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 104597623
N,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120842058
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
2-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol
CID 154861279
5-(2-methylpiperidin-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120839329
3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120840882
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 104597587
5-(2-methylpiperidin-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
CID 104597603
3-(1-methoxycycloheptyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116743183

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylimidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole (CID 113430976) is 3-(1-methylimidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole is Cn1ccnc1-c1noc(C2(C)CCCCN2)n1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is DKZUUMNHXJZOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-12(5-3-4-6-14-12)11-15-9(16-18-11)10-13-7-8-17(10)2/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 3-(1-methylimidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(1-methylimidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 247.30 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 113430976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).