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

C11H13FN4O — CID 79718522

IUPAC3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(N)C(C)c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C11H13FN4O/c1-6(7(2)13)11-15-10(16-17-11)9-4-3-8(12)5-14-9/h3-7H,13H2,1-2H3
InChIKeyHMQMQBVKFMJVBV-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.72
Rot. Bonds3

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

3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 79718522) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID79718522
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(N)C(C)c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C11H13FN4O/c1-6(7(2)13)11-15-10(16-17-11)9-4-3-8(12)5-14-9/h3-7H,13H2,1-2H3
InChIKeyHMQMQBVKFMJVBV-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 79718522) is 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CC(N)C(C)c1nc(-c2ccc(F)cn2)no1.
What is the InChIKey of 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is HMQMQBVKFMJVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-6(7(2)13)11-15-10(16-17-11)9-4-3-8(12)5-14-9/h3-7H,13H2,1-2H3.
What are the key properties of 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 236.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 79718522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).