3-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

C13H12F3N3O2 — CID 138691157

IUPAC3-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccccc1-c1nc([C@@H]2CCCN2)no1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)20-10-6-2-1-4-8(10)12-18-11(19-21-12)9-5-3-7-17-9/h1-2,4,6,9,17H,3,5,7H2/t9-/m0/s1
InChIKeyJNJWGXDPJNFFEL-VIFPVBQESA-N
MW299.25 g/mol
LogP3.06
Rot. Bonds3

About 3-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

3-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 138691157) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 3-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID138691157
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name3-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccccc1-c1nc([C@@H]2CCCN2)no1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)20-10-6-2-1-4-8(10)12-18-11(19-21-12)9-5-3-7-17-9/h1-2,4,6,9,17H,3,5,7H2/t9-/m0/s1
InChIKeyJNJWGXDPJNFFEL-VIFPVBQESA-N
XLogP3.06
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-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-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 138691157) is 3-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is FC(F)(F)Oc1ccccc1-c1nc([C@@H]2CCCN2)no1.
What is the InChIKey of 3-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is JNJWGXDPJNFFEL-VIFPVBQESA-N. The full InChI is InChI=1S/C13H12F3N3O2/c14-13(15,16)20-10-6-2-1-4-8(10)12-18-11(19-21-12)9-5-3-7-17-9/h1-2,4,6,9,17H,3,5,7H2/t9-/m0/s1.
What are the key properties of 3-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
3-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 299.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 138691157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).