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

C14H21N5O — CID 66121030

IUPAC5-(1,3-diethylpyrazol-5-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESCCc1cc(-c2nc(C3CCCNC3)no2)n(CC)n1
InChIInChI=1S/C14H21N5O/c1-3-11-8-12(19(4-2)17-11)14-16-13(18-20-14)10-6-5-7-15-9-10/h8,10,15H,3-7,9H2,1-2H3
InChIKeySWLUEXURVAFXQS-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.98
Rot. Bonds4

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

5-(1,3-diethylpyrazol-5-yl)-3-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 66121030) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 5-(1,3-diethylpyrazol-5-yl)-3-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,3-diethylpyrazol-5-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID66121030
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name5-(1,3-diethylpyrazol-5-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESCCc1cc(-c2nc(C3CCCNC3)no2)n(CC)n1
InChIInChI=1S/C14H21N5O/c1-3-11-8-12(19(4-2)17-11)14-16-13(18-20-14)10-6-5-7-15-9-10/h8,10,15H,3-7,9H2,1-2H3
InChIKeySWLUEXURVAFXQS-UHFFFAOYSA-N
XLogP1.98
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole
CID 104541133
5-(5-ethylfuran-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 79084471
5-(4-methylphenyl)-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939484
5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024578
5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 86326580
5-(2,6-difluorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024920
5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63025950
5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026121
4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137002863
5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 79205715
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633387

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-diethylpyrazol-5-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1,3-diethylpyrazol-5-yl)-3-piperidin-3-yl-1,2,4-oxadiazole (CID 66121030) is 5-(1,3-diethylpyrazol-5-yl)-3-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,3-diethylpyrazol-5-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,3-diethylpyrazol-5-yl)-3-piperidin-3-yl-1,2,4-oxadiazole is CCc1cc(-c2nc(C3CCCNC3)no2)n(CC)n1.
What is the InChIKey of 5-(1,3-diethylpyrazol-5-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is SWLUEXURVAFXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-11-8-12(19(4-2)17-11)14-16-13(18-20-14)10-6-5-7-15-9-10/h8,10,15H,3-7,9H2,1-2H3.
What are the key properties of 5-(1,3-diethylpyrazol-5-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
5-(1,3-diethylpyrazol-5-yl)-3-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 275.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-diethylpyrazol-5-yl)-3-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 66121030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).