5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;hydrochloride

C15H18ClN3O3S — CID 120841267

IUPAC5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;hydrochloride
SMILESCS(=O)(=O)c1ccc(-c2noc(C3CC34CCNC4)n2)cc1.Cl
InChIInChI=1S/C15H17N3O3S.ClH/c1-22(19,20)11-4-2-10(3-5-11)13-17-14(21-18-13)12-8-15(12)6-7-16-9-15;/h2-5,12,16H,6-9H2,1H3;1H
InChIKeyGUPZTTLJTPKKJU-UHFFFAOYSA-N
MW355.85 g/mol
LogP2.03
Rot. Bonds3

About 5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;hydrochloride

5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120841267) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120841267
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;hydrochloride
SMILESCS(=O)(=O)c1ccc(-c2noc(C3CC34CCNC4)n2)cc1.Cl
InChIInChI=1S/C15H17N3O3S.ClH/c1-22(19,20)11-4-2-10(3-5-11)13-17-14(21-18-13)12-8-15(12)6-7-16-9-15;/h2-5,12,16H,6-9H2,1H3;1H
InChIKeyGUPZTTLJTPKKJU-UHFFFAOYSA-N
XLogP2.03
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]benzoate
CID 120841379
5-(5-azaspiro[2.4]heptan-2-yl)-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride
CID 120840978
5-(5-azaspiro[2.4]heptan-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 120837141
5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 120841555
methyl 4-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]benzoate;hydrochloride
CID 120841404
3-(4-methylsulfonylphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120841276
5-(5-azaspiro[2.4]heptan-2-yl)-3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride
CID 120840549
2-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 167929850
3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 124505405
5-(5-azaspiro[2.4]heptan-2-yl)-3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120839818
2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120835324
5-(5-azaspiro[2.4]heptan-2-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120838417

Frequently Asked Questions

What is the IUPAC name of 5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;hydrochloride (CID 120841267) is 5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;hydrochloride is CS(=O)(=O)c1ccc(-c2noc(C3CC34CCNC4)n2)cc1.Cl.
What is the InChIKey of 5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is GUPZTTLJTPKKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S.ClH/c1-22(19,20)11-4-2-10(3-5-11)13-17-14(21-18-13)12-8-15(12)6-7-16-9-15;/h2-5,12,16H,6-9H2,1H3;1H.
What are the key properties of 5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;hydrochloride?
5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 355.85 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120841267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).