2-phenyl-5-(6-piperidin-1-ylsulfonyl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole

C20H26N4O3S — CID 56803988

IUPAC2-phenyl-5-(6-piperidin-1-ylsulfonyl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole
SMILESO=S(=O)(N1CCCCC1)N1CCC2(CC1)CC2c1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H26N4O3S/c25-28(26,23-11-5-2-6-12-23)24-13-9-20(10-14-24)15-17(20)19-22-21-18(27-19)16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2
InChIKeyJCOGTSYQBSWYMO-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.04
Rot. Bonds4

About 2-phenyl-5-(6-piperidin-1-ylsulfonyl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole

2-phenyl-5-(6-piperidin-1-ylsulfonyl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole (PubChem CID 56803988) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-phenyl-5-(6-piperidin-1-ylsulfonyl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-(6-piperidin-1-ylsulfonyl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole
PubChem CID56803988
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name2-phenyl-5-(6-piperidin-1-ylsulfonyl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole
SMILESO=S(=O)(N1CCCCC1)N1CCC2(CC1)CC2c1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H26N4O3S/c25-28(26,23-11-5-2-6-12-23)24-13-9-20(10-14-24)15-17(20)19-22-21-18(27-19)16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2
InChIKeyJCOGTSYQBSWYMO-UHFFFAOYSA-N
XLogP3.04
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-5-(6-piperidin-1-ylsulfonyl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(6-benzylsulfonyl-6-azaspiro[2.5]octan-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 56803987
2-[(2S)-6-(1,2-dimethylimidazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 95617766
2-[(2R)-6-butylsulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 95618341
2-[(2R)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 95617807
2-[(2R)-6-(1,2-dimethylimidazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 95618131
2-[6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 56803976
2-[(2R)-6-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 95617827
2-cyclopentyl-5-phenyl-1,3,4-oxadiazole
CID 83382259
cyclohexyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897675
3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine
CID 90064881
(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine
CID 97344792
2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine
CID 75474712

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(6-piperidin-1-ylsulfonyl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-(6-piperidin-1-ylsulfonyl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole (CID 56803988) is 2-phenyl-5-(6-piperidin-1-ylsulfonyl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-(6-piperidin-1-ylsulfonyl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-(6-piperidin-1-ylsulfonyl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole is O=S(=O)(N1CCCCC1)N1CCC2(CC1)CC2c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-phenyl-5-(6-piperidin-1-ylsulfonyl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole?
The InChIKey is JCOGTSYQBSWYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c25-28(26,23-11-5-2-6-12-23)24-13-9-20(10-14-24)15-17(20)19-22-21-18(27-19)16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2.
What are the key properties of 2-phenyl-5-(6-piperidin-1-ylsulfonyl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole?
2-phenyl-5-(6-piperidin-1-ylsulfonyl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole has a molecular weight of 402.52 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(6-piperidin-1-ylsulfonyl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 56803988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).