5-(5-azaspiro[2.4]heptan-2-yl)-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride

C14H17ClN4O2 — CID 120840978

IUPAC5-(5-azaspiro[2.4]heptan-2-yl)-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride
SMILESCOc1ccc(-c2noc(C3CC34CCNC4)n2)cn1.Cl
InChIInChI=1S/C14H16N4O2.ClH/c1-19-11-3-2-9(7-16-11)12-17-13(20-18-12)10-6-14(10)4-5-15-8-14;/h2-3,7,10,15H,4-6,8H2,1H3;1H
InChIKeyNCQOJTVIDXIFAF-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.03
Rot. Bonds3

About 5-(5-azaspiro[2.4]heptan-2-yl)-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride

5-(5-azaspiro[2.4]heptan-2-yl)-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120840978) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-(5-azaspiro[2.4]heptan-2-yl)-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(5-azaspiro[2.4]heptan-2-yl)-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120840978
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name5-(5-azaspiro[2.4]heptan-2-yl)-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride
SMILESCOc1ccc(-c2noc(C3CC34CCNC4)n2)cn1.Cl
InChIInChI=1S/C14H16N4O2.ClH/c1-19-11-3-2-9(7-16-11)12-17-13(20-18-12)10-6-14(10)4-5-15-8-14;/h2-3,7,10,15H,4-6,8H2,1H3;1H
InChIKeyNCQOJTVIDXIFAF-UHFFFAOYSA-N
XLogP2.03
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(5-azaspiro[2.4]heptan-2-yl)-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride with MolForge

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Related Compounds

5-(5-azaspiro[2.4]heptan-2-yl)-3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride
CID 120840549
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-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120841267
5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 120841006
3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120840977
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
5-(6-azaspiro[2.5]octan-2-yl)-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 120840795
5-(5-azaspiro[2.4]heptan-2-yl)-3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120839818
3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 119948377
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-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(5-azaspiro[2.4]heptan-2-yl)-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride (CID 120840978) is 5-(5-azaspiro[2.4]heptan-2-yl)-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(5-azaspiro[2.4]heptan-2-yl)-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(5-azaspiro[2.4]heptan-2-yl)-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride is COc1ccc(-c2noc(C3CC34CCNC4)n2)cn1.Cl.
What is the InChIKey of 5-(5-azaspiro[2.4]heptan-2-yl)-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is NCQOJTVIDXIFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2.ClH/c1-19-11-3-2-9(7-16-11)12-17-13(20-18-12)10-6-14(10)4-5-15-8-14;/h2-3,7,10,15H,4-6,8H2,1H3;1H.
What are the key properties of 5-(5-azaspiro[2.4]heptan-2-yl)-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride?
5-(5-azaspiro[2.4]heptan-2-yl)-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 308.77 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-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120840978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).