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

C22H23N3O3S — CID 56803987

IUPAC2-(6-benzylsulfonyl-6-azaspiro[2.5]octan-2-yl)-5-phenyl-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1ccccc1)N1CCC2(CC1)CC2c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H23N3O3S/c26-29(27,16-17-7-3-1-4-8-17)25-13-11-22(12-14-25)15-19(22)21-24-23-20(28-21)18-9-5-2-6-10-18/h1-10,19H,11-16H2
InChIKeyRUQWOODJKNKKJZ-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.84
Rot. Bonds5

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

2-(6-benzylsulfonyl-6-azaspiro[2.5]octan-2-yl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 56803987) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-(6-benzylsulfonyl-6-azaspiro[2.5]octan-2-yl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(6-benzylsulfonyl-6-azaspiro[2.5]octan-2-yl)-5-phenyl-1,3,4-oxadiazole
PubChem CID56803987
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-(6-benzylsulfonyl-6-azaspiro[2.5]octan-2-yl)-5-phenyl-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1ccccc1)N1CCC2(CC1)CC2c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H23N3O3S/c26-29(27,16-17-7-3-1-4-8-17)25-13-11-22(12-14-25)15-19(22)21-24-23-20(28-21)18-9-5-2-6-10-18/h1-10,19H,11-16H2
InChIKeyRUQWOODJKNKKJZ-UHFFFAOYSA-N
XLogP3.84
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-5-(6-piperidin-1-ylsulfonyl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole
CID 56803988
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-[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-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 51137796
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-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 95617827
8-benzylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 141062958
2-[6-(1-benzylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 89472413
2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 121117253
(1-benzylsulfonylpiperidin-4-yl)methanamine
CID 43605269
2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 71850455

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzylsulfonyl-6-azaspiro[2.5]octan-2-yl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(6-benzylsulfonyl-6-azaspiro[2.5]octan-2-yl)-5-phenyl-1,3,4-oxadiazole (CID 56803987) is 2-(6-benzylsulfonyl-6-azaspiro[2.5]octan-2-yl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(6-benzylsulfonyl-6-azaspiro[2.5]octan-2-yl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(6-benzylsulfonyl-6-azaspiro[2.5]octan-2-yl)-5-phenyl-1,3,4-oxadiazole is O=S(=O)(Cc1ccccc1)N1CCC2(CC1)CC2c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-(6-benzylsulfonyl-6-azaspiro[2.5]octan-2-yl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is RUQWOODJKNKKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c26-29(27,16-17-7-3-1-4-8-17)25-13-11-22(12-14-25)15-19(22)21-24-23-20(28-21)18-9-5-2-6-10-18/h1-10,19H,11-16H2.
What are the key properties of 2-(6-benzylsulfonyl-6-azaspiro[2.5]octan-2-yl)-5-phenyl-1,3,4-oxadiazole?
2-(6-benzylsulfonyl-6-azaspiro[2.5]octan-2-yl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 409.51 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzylsulfonyl-6-azaspiro[2.5]octan-2-yl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 56803987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).