2-[(2R)-6-butylsulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole

C19H24FN3O3S — CID 95618341

IUPAC2-[(2R)-6-butylsulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESCCCCS(=O)(=O)N1CCC2(CC1)C[C@H]2c1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C19H24FN3O3S/c1-2-3-11-27(24,25)23-9-7-19(8-10-23)13-16(19)18-22-21-17(26-18)14-5-4-6-15(20)12-14/h4-6,12,16H,2-3,7-11,13H2,1H3/t16-/m0/s1
InChIKeyWMAOWCBMTOLLGS-INIZCTEOSA-N
MW393.48 g/mol
LogP3.58
Rot. Bonds6

About 2-[(2R)-6-butylsulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole

2-[(2R)-6-butylsulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 95618341) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-[(2R)-6-butylsulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2R)-6-butylsulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
PubChem CID95618341
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC Name2-[(2R)-6-butylsulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESCCCCS(=O)(=O)N1CCC2(CC1)C[C@H]2c1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C19H24FN3O3S/c1-2-3-11-27(24,25)23-9-7-19(8-10-23)13-16(19)18-22-21-17(26-18)14-5-4-6-15(20)12-14/h4-6,12,16H,2-3,7-11,13H2,1H3/t16-/m0/s1
InChIKeyWMAOWCBMTOLLGS-INIZCTEOSA-N
XLogP3.58
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-6-butylsulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2R)-6-butylsulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole (CID 95618341) is 2-[(2R)-6-butylsulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2R)-6-butylsulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2R)-6-butylsulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole is CCCCS(=O)(=O)N1CCC2(CC1)C[C@H]2c1nnc(-c2cccc(F)c2)o1.
What is the InChIKey of 2-[(2R)-6-butylsulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is WMAOWCBMTOLLGS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-2-3-11-27(24,25)23-9-7-19(8-10-23)13-16(19)18-22-21-17(26-18)14-5-4-6-15(20)12-14/h4-6,12,16H,2-3,7-11,13H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(2R)-6-butylsulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
2-[(2R)-6-butylsulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 393.48 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-6-butylsulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 95618341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).