3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one

C20H20N4O2 — CID 51092104

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CCc1nnc(-c2ccccc2)o1)N1CCCC1c1ccccn1
InChIInChI=1S/C20H20N4O2/c25-19(24-14-6-10-17(24)16-9-4-5-13-21-16)12-11-18-22-23-20(26-18)15-7-2-1-3-8-15/h1-5,7-9,13,17H,6,10-12,14H2
InChIKeyWVXUWZUPKNYRTC-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.43
Rot. Bonds5

About 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 51092104) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one
PubChem CID51092104
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CCc1nnc(-c2ccccc2)o1)N1CCCC1c1ccccn1
InChIInChI=1S/C20H20N4O2/c25-19(24-14-6-10-17(24)16-9-4-5-13-21-16)12-11-18-22-23-20(26-18)15-7-2-1-3-8-15/h1-5,7-9,13,17H,6,10-12,14H2
InChIKeyWVXUWZUPKNYRTC-UHFFFAOYSA-N
XLogP3.43
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one 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-phenyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one (CID 51092104) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one is O=C(CCc1nnc(-c2ccccc2)o1)N1CCCC1c1ccccn1.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is WVXUWZUPKNYRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(24-14-6-10-17(24)16-9-4-5-13-21-16)12-11-18-22-23-20(26-18)15-7-2-1-3-8-15/h1-5,7-9,13,17H,6,10-12,14H2.
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 348.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 51092104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).