2-[1-(4-fluorophenyl)propyl]-5-[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole

C21H21FN2O2 — CID 138012175

IUPAC2-[1-(4-fluorophenyl)propyl]-5-[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole
SMILESCCC(c1ccc(F)cc1)c1nnc(-c2cccc(C3CCOC3)c2)o1
InChIInChI=1S/C21H21FN2O2/c1-2-19(14-6-8-18(22)9-7-14)21-24-23-20(26-21)16-5-3-4-15(12-16)17-10-11-25-13-17/h3-9,12,17,19H,2,10-11,13H2,1H3
InChIKeyUZIAXPIZEFDYMT-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.92
Rot. Bonds5

About 2-[1-(4-fluorophenyl)propyl]-5-[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole

2-[1-(4-fluorophenyl)propyl]-5-[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 138012175) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)propyl]-5-[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)propyl]-5-[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole
PubChem CID138012175
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name2-[1-(4-fluorophenyl)propyl]-5-[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole
SMILESCCC(c1ccc(F)cc1)c1nnc(-c2cccc(C3CCOC3)c2)o1
InChIInChI=1S/C21H21FN2O2/c1-2-19(14-6-8-18(22)9-7-14)21-24-23-20(26-21)16-5-3-4-15(12-16)17-10-11-25-13-17/h3-9,12,17,19H,2,10-11,13H2,1H3
InChIKeyUZIAXPIZEFDYMT-UHFFFAOYSA-N
XLogP4.92
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4-fluorophenyl)propyl]-5-[3-(oxolan-3-yl)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-[1-(4-fluorophenyl)propyl]-5-[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-fluorophenyl)propyl]-5-[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole (CID 138012175) is 2-[1-(4-fluorophenyl)propyl]-5-[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-fluorophenyl)propyl]-5-[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-fluorophenyl)propyl]-5-[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole is CCC(c1ccc(F)cc1)c1nnc(-c2cccc(C3CCOC3)c2)o1.
What is the InChIKey of 2-[1-(4-fluorophenyl)propyl]-5-[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole?
The InChIKey is UZIAXPIZEFDYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-2-19(14-6-8-18(22)9-7-14)21-24-23-20(26-21)16-5-3-4-15(12-16)17-10-11-25-13-17/h3-9,12,17,19H,2,10-11,13H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)propyl]-5-[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole?
2-[1-(4-fluorophenyl)propyl]-5-[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole has a molecular weight of 352.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)propyl]-5-[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 138012175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).