2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride

C17H21ClN4O2 — CID 120835324

IUPAC2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)Cc2noc(C3CC34CCNC4)n2)cc1.Cl
InChIInChI=1S/C17H20N4O2.ClH/c1-11-2-4-12(5-3-11)19-15(22)8-14-20-16(23-21-14)13-9-17(13)6-7-18-10-17;/h2-5,13,18H,6-10H2,1H3,(H,19,22);1H
InChIKeyUPGDXZIWQFDEDS-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.45
Rot. Bonds4

About 2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride

2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride (PubChem CID 120835324) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride
PubChem CID120835324
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)Cc2noc(C3CC34CCNC4)n2)cc1.Cl
InChIInChI=1S/C17H20N4O2.ClH/c1-11-2-4-12(5-3-11)19-15(22)8-14-20-16(23-21-14)13-9-17(13)6-7-18-10-17;/h2-5,13,18H,6-10H2,1H3,(H,19,22);1H
InChIKeyUPGDXZIWQFDEDS-UHFFFAOYSA-N
XLogP2.45
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride
CID 120838608
N-(4-methylphenyl)-2-[5-[(2R)-morpholin-2-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 120835397
2-[5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide
CID 120835352
methyl 4-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]benzoate
CID 120841379
2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120955587
5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120841267
5-(5-azaspiro[2.4]heptan-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120893573
N-[4-[(2-methoxyacetyl)amino]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide
CID 167891823
5-(5-azaspiro[2.4]heptan-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 120837141
methyl 4-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]benzoate;hydrochloride
CID 120841404
4-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 63121506
2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838572

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride (CID 120835324) is 2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride is Cc1ccc(NC(=O)Cc2noc(C3CC34CCNC4)n2)cc1.Cl.
What is the InChIKey of 2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride?
The InChIKey is UPGDXZIWQFDEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2.ClH/c1-11-2-4-12(5-3-11)19-15(22)8-14-20-16(23-21-14)13-9-17(13)6-7-18-10-17;/h2-5,13,18H,6-10H2,1H3,(H,19,22);1H.
What are the key properties of 2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride?
2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride has a molecular weight of 348.83 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120835324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).