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

C13H15FN4O — CID 79719199

IUPAC2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1CCCCC1c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C13H15FN4O/c14-8-5-6-11(16-7-8)12-17-13(19-18-12)9-3-1-2-4-10(9)15/h5-7,9-10H,1-4,15H2
InChIKeyCHNBSOTVUKLXIT-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.26
Rot. Bonds2

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

2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 79719199) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID79719199
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1CCCCC1c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C13H15FN4O/c14-8-5-6-11(16-7-8)12-17-13(19-18-12)9-3-1-2-4-10(9)15/h5-7,9-10H,1-4,15H2
InChIKeyCHNBSOTVUKLXIT-UHFFFAOYSA-N
XLogP2.26
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 79719199) is 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is NC1CCCCC1c1nc(-c2ccc(F)cn2)no1.
What is the InChIKey of 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is CHNBSOTVUKLXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-8-5-6-11(16-7-8)12-17-13(19-18-12)9-3-1-2-4-10(9)15/h5-7,9-10H,1-4,15H2.
What are the key properties of 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 262.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 79719199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).