3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazole

C12H13FN4O — CID 51136926

IUPAC3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCN1CCC[C@H]1c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C12H13FN4O/c1-17-6-2-3-10(17)12-15-11(16-18-12)9-5-4-8(13)7-14-9/h4-5,7,10H,2-3,6H2,1H3/t10-/m0/s1
InChIKeyQTOWBYXJSJZEJQ-JTQLQIEISA-N
MW248.26 g/mol
LogP2.04
Rot. Bonds2

About 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazole

3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 51136926) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID51136926
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCN1CCC[C@H]1c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C12H13FN4O/c1-17-6-2-3-10(17)12-15-11(16-18-12)9-5-4-8(13)7-14-9/h4-5,7,10H,2-3,6H2,1H3/t10-/m0/s1
InChIKeyQTOWBYXJSJZEJQ-JTQLQIEISA-N
XLogP2.04
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazole 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-(5-fluoro-2-pyridinyl)-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazole (CID 51136926) is 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazole is CN1CCC[C@H]1c1nc(-c2ccc(F)cn2)no1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is QTOWBYXJSJZEJQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13FN4O/c1-17-6-2-3-10(17)12-15-11(16-18-12)9-5-4-8(13)7-14-9/h4-5,7,10H,2-3,6H2,1H3/t10-/m0/s1.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazole?
3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 248.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 51136926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).