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

C11H13FN4O — CID 104639525

IUPAC2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(C)(N)c1noc(-c2ccc(F)cn2)n1
InChIInChI=1S/C11H13FN4O/c1-3-11(2,13)10-15-9(17-16-10)8-5-4-7(12)6-14-8/h4-6H,3,13H2,1-2H3
InChIKeyGVLLIMMURTWYMU-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.85
Rot. Bonds3

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

2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (PubChem CID 104639525) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-amine.

Molecular Properties

Compound Name2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
PubChem CID104639525
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(C)(N)c1noc(-c2ccc(F)cn2)n1
InChIInChI=1S/C11H13FN4O/c1-3-11(2,13)10-15-9(17-16-10)8-5-4-7(12)6-14-8/h4-6H,3,13H2,1-2H3
InChIKeyGVLLIMMURTWYMU-UHFFFAOYSA-N
XLogP1.85
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61326714
2-[5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 113400116
2-[5-(2-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 79205411
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79804546
2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61354499
2-ethoxy-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104639551
2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 106689440
[6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81090077
5-[3-(2-aminobutan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136710763
2-[5-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61325265
2-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115430636
2-[5-(4-bromo-3-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 81307819

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The IUPAC name of 2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (CID 104639525) is 2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-amine.
What is the SMILES notation for 2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The canonical SMILES for 2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-amine is CCC(C)(N)c1noc(-c2ccc(F)cn2)n1.
What is the InChIKey of 2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The InChIKey is GVLLIMMURTWYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-3-11(2,13)10-15-9(17-16-10)8-5-4-7(12)6-14-8/h4-6H,3,13H2,1-2H3.
What are the key properties of 2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-amine has a molecular weight of 236.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-amine is sourced from PubChem (CID 104639525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).