2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole

C17H20N6O3S — CID 110247160

IUPAC2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESCCn1cc(S(=O)(=O)N2CCCCC2c2nnc(-c3ccccn3)o2)cn1
InChIInChI=1S/C17H20N6O3S/c1-2-22-12-13(11-19-22)27(24,25)23-10-6-4-8-15(23)17-21-20-16(26-17)14-7-3-5-9-18-14/h3,5,7,9,11-12,15H,2,4,6,8,10H2,1H3
InChIKeyIBZZOVMMYKPSMY-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.26
Rot. Bonds5

About 2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole

2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 110247160) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID110247160
Molecular FormulaC17H20N6O3S
Molecular Weight388.45 g/mol
Exact Mass388.13
IUPAC Name2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESCCn1cc(S(=O)(=O)N2CCCCC2c2nnc(-c3ccccn3)o2)cn1
InChIInChI=1S/C17H20N6O3S/c1-2-22-12-13(11-19-22)27(24,25)23-10-6-4-8-15(23)17-21-20-16(26-17)14-7-3-5-9-18-14/h3,5,7,9,11-12,15H,2,4,6,8,10H2,1H3
InChIKeyIBZZOVMMYKPSMY-UHFFFAOYSA-N
XLogP2.26
TPSA107.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 124952572
2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 110217531
5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole
CID 110215743
2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 92590167
3-[(2S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 138005808
5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole
CID 110215753
2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92590169
2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92558047
2-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 124958297
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110247156
(2S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-2-(furan-2-yl)-4-methylpiperidine
CID 129421234
1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide
CID 19684559

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole (CID 110247160) is 2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole is CCn1cc(S(=O)(=O)N2CCCCC2c2nnc(-c3ccccn3)o2)cn1.
What is the InChIKey of 2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is IBZZOVMMYKPSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S/c1-2-22-12-13(11-19-22)27(24,25)23-10-6-4-8-15(23)17-21-20-16(26-17)14-7-3-5-9-18-14/h3,5,7,9,11-12,15H,2,4,6,8,10H2,1H3.
What are the key properties of 2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 388.45 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 110247160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).