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

C16H19N3O — CID 51137198

IUPAC2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc([C@H]3CCN(C4CCC4)C3)o2)cc1
InChIInChI=1S/C16H19N3O/c1-2-5-12(6-3-1)15-17-18-16(20-15)13-9-10-19(11-13)14-7-4-8-14/h1-3,5-6,13-14H,4,7-11H2/t13-/m0/s1
InChIKeyYSVNOGVTKNWMOR-ZDUSSCGKSA-N
MW269.35 g/mol
LogP3.08
Rot. Bonds3

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

2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 51137198) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID51137198
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc([C@H]3CCN(C4CCC4)C3)o2)cc1
InChIInChI=1S/C16H19N3O/c1-2-5-12(6-3-1)15-17-18-16(20-15)13-9-10-19(11-13)14-7-4-8-14/h1-3,5-6,13-14H,4,7-11H2/t13-/m0/s1
InChIKeyYSVNOGVTKNWMOR-ZDUSSCGKSA-N
XLogP3.08
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-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 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole (CID 51137198) is 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc([C@H]3CCN(C4CCC4)C3)o2)cc1.
What is the InChIKey of 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is YSVNOGVTKNWMOR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-5-12(6-3-1)15-17-18-16(20-15)13-9-10-19(11-13)14-7-4-8-14/h1-3,5-6,13-14H,4,7-11H2/t13-/m0/s1.
What are the key properties of 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole?
2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 269.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 51137198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).