5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole

C12H17N5O — CID 60916819

IUPAC5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESCc1c(-c2nc(C3CCCCN3)no2)cnn1C
InChIInChI=1S/C12H17N5O/c1-8-9(7-14-17(8)2)12-15-11(16-18-12)10-5-3-4-6-13-10/h7,10,13H,3-6H2,1-2H3
InChIKeyPDXGYXYLJHRQHB-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.59
Rot. Bonds2

About 5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole

5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 60916819) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID60916819
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESCc1c(-c2nc(C3CCCCN3)no2)cnn1C
InChIInChI=1S/C12H17N5O/c1-8-9(7-14-17(8)2)12-15-11(16-18-12)10-5-3-4-6-13-10/h7,10,13H,3-6H2,1-2H3
InChIKeyPDXGYXYLJHRQHB-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317314
3-(azepan-2-yl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 103972133
5-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
CID 136812597
3-(azepan-2-yl)-5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazole
CID 103972121
3-(azepan-2-yl)-5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 75475195
5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916016
3-(azepan-2-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 104541119
2-(1,5-dimethylpyrazol-4-yl)azepane
CID 81147325
5-(3-chloro-2-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 81262903
5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 104879912
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 54592757
3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
CID 136920524

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole (CID 60916819) is 5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole is Cc1c(-c2nc(C3CCCCN3)no2)cnn1C.
What is the InChIKey of 5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is PDXGYXYLJHRQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-9(7-14-17(8)2)12-15-11(16-18-12)10-5-3-4-6-13-10/h7,10,13H,3-6H2,1-2H3.
What are the key properties of 5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole?
5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 247.30 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 60916819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).