6-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine

C13H17FN4O — CID 79719548

IUPAC6-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
SMILESNCCCCCCc1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C13H17FN4O/c14-10-6-7-11(16-9-10)13-17-12(19-18-13)5-3-1-2-4-8-15/h6-7,9H,1-5,8,15H2
InChIKeyRECYBVLWBMCDQH-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.33
Rot. Bonds7

About 6-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine

6-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine (PubChem CID 79719548) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 6-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine.

Molecular Properties

Compound Name6-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
PubChem CID79719548
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name6-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
SMILESNCCCCCCc1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C13H17FN4O/c14-10-6-7-11(16-9-10)13-17-12(19-18-13)5-3-1-2-4-8-15/h6-7,9H,1-5,8,15H2
InChIKeyRECYBVLWBMCDQH-UHFFFAOYSA-N
XLogP2.33
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine with MolForge

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Related Compounds

5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 79720053
5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 79719710
2-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273782
2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072670
N-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 79704099
5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43622167
3-(5-fluoro-2-pyridinyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 79719984
5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 54933411
6-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 63093946
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 79718714
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 79718812
6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 82736599

Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The IUPAC name of 6-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine (CID 79719548) is 6-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine.
What is the SMILES notation for 6-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The canonical SMILES for 6-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine is NCCCCCCc1nc(-c2ccc(F)cn2)no1.
What is the InChIKey of 6-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The InChIKey is RECYBVLWBMCDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c14-10-6-7-11(16-9-10)13-17-12(19-18-13)5-3-1-2-4-8-15/h6-7,9H,1-5,8,15H2.
What are the key properties of 6-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
6-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine has a molecular weight of 264.30 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine is sourced from PubChem (CID 79719548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).