3-[(3S,4R)-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole

C11H12N4O — CID 129493013

IUPAC3-[(3S,4R)-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESc1cncc([C@@H]2CNC[C@H]2c2ncon2)c1
InChIInChI=1S/C11H12N4O/c1-2-8(4-12-3-1)9-5-13-6-10(9)11-14-7-16-15-11/h1-4,7,9-10,13H,5-6H2/t9-,10+/m0/s1
InChIKeyCBFLDUJESJQJKI-VHSXEESVSA-N
MW216.24 g/mol
LogP0.94
Rot. Bonds2

About 3-[(3S,4R)-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole

3-[(3S,4R)-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 129493013) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-[(3S,4R)-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3S,4R)-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID129493013
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-[(3S,4R)-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESc1cncc([C@@H]2CNC[C@H]2c2ncon2)c1
InChIInChI=1S/C11H12N4O/c1-2-8(4-12-3-1)9-5-13-6-10(9)11-14-7-16-15-11/h1-4,7,9-10,13H,5-6H2/t9-,10+/m0/s1
InChIKeyCBFLDUJESJQJKI-VHSXEESVSA-N
XLogP0.94
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3S,4R)-4-pyridin-3-ylpyrrolidin-3-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-[(3S,4R)-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(3S,4R)-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole (CID 129493013) is 3-[(3S,4R)-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3S,4R)-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3S,4R)-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole is c1cncc([C@@H]2CNC[C@H]2c2ncon2)c1.
What is the InChIKey of 3-[(3S,4R)-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is CBFLDUJESJQJKI-VHSXEESVSA-N. The full InChI is InChI=1S/C11H12N4O/c1-2-8(4-12-3-1)9-5-13-6-10(9)11-14-7-16-15-11/h1-4,7,9-10,13H,5-6H2/t9-,10+/m0/s1.
What are the key properties of 3-[(3S,4R)-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole?
3-[(3S,4R)-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 216.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 129493013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).