1-[5-[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C17H24ClN5O — CID 120856488

IUPAC1-[5-[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCC1CCN(c2cc(-c3nc(C4(N)CCCC4)no3)ccn2)C1.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-12-5-9-22(11-12)14-10-13(4-8-19-14)15-20-16(21-23-15)17(18)6-2-3-7-17;/h4,8,10,12H,2-3,5-7,9,11,18H2,1H3;1H
InChIKeyISHSCPPCZSWYTL-UHFFFAOYSA-N
MW349.87 g/mol
LogP3.13
Rot. Bonds3

About 1-[5-[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120856488) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is 1-[5-[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120856488
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC Name1-[5-[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCC1CCN(c2cc(-c3nc(C4(N)CCCC4)no3)ccn2)C1.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-12-5-9-22(11-12)14-10-13(4-8-19-14)15-20-16(21-23-15)17(18)6-2-3-7-17;/h4,8,10,12H,2-3,5-7,9,11,18H2,1H3;1H
InChIKeyISHSCPPCZSWYTL-UHFFFAOYSA-N
XLogP3.13
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride with MolForge

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Related Compounds

1-[5-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860738
1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852096
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351934
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 56770081
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855098
3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 71978085
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 61352127
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61353726
1-[5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853706

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120856488) is 1-[5-[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is CC1CCN(c2cc(-c3nc(C4(N)CCCC4)no3)ccn2)C1.Cl.
What is the InChIKey of 1-[5-[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is ISHSCPPCZSWYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.ClH/c1-12-5-9-22(11-12)14-10-13(4-8-19-14)15-20-16(21-23-15)17(18)6-2-3-7-17;/h4,8,10,12H,2-3,5-7,9,11,18H2,1H3;1H.
What are the key properties of 1-[5-[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 349.87 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120856488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).