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

C12H13FN4O — CID 104786423

IUPAC1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(-c3cncc(F)c3)n2)CCCC1
InChIInChI=1S/C12H13FN4O/c13-9-5-8(6-15-7-9)10-16-11(17-18-10)12(14)3-1-2-4-12/h5-7H,1-4,14H2
InChIKeyRIZIBNAPWRHIGB-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.00
Rot. Bonds2

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

1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 104786423) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID104786423
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(-c3cncc(F)c3)n2)CCCC1
InChIInChI=1S/C12H13FN4O/c13-9-5-8(6-15-7-9)10-16-11(17-18-10)12(14)3-1-2-4-12/h5-7H,1-4,14H2
InChIKeyRIZIBNAPWRHIGB-UHFFFAOYSA-N
XLogP2.00
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354512
1-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859443
4-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-N,N-dimethylaniline;hydrochloride
CID 120853767
1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864382
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61353726
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351934
5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine
CID 104786443
1-[5-(3-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 107940671
1-[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61351714
1-[5-[3-(4-fluorophenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855013
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 104786423) is 1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(-c3cncc(F)c3)n2)CCCC1.
What is the InChIKey of 1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is RIZIBNAPWRHIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c13-9-5-8(6-15-7-9)10-16-11(17-18-10)12(14)3-1-2-4-12/h5-7H,1-4,14H2.
What are the key properties of 1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 248.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 104786423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).