2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide

C20H18FN3O3 — CID 665439

IUPAC2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C20H18FN3O3/c21-14-9-7-13(8-10-14)18-23-20(27-24-18)17-6-2-1-5-16(17)19(25)22-12-15-4-3-11-26-15/h1-2,5-10,15H,3-4,11-12H2,(H,22,25)
InChIKeyJABRYENKQNBMIK-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.45
Rot. Bonds5

About 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide

2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 665439) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID665439
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C20H18FN3O3/c21-14-9-7-13(8-10-14)18-23-20(27-24-18)17-6-2-1-5-16(17)19(25)22-12-15-4-3-11-26-15/h1-2,5-10,15H,3-4,11-12H2,(H,22,25)
InChIKeyJABRYENKQNBMIK-UHFFFAOYSA-N
XLogP3.45
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide 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-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide (CID 665439) is 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is JABRYENKQNBMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c21-14-9-7-13(8-10-14)18-23-20(27-24-18)17-6-2-1-5-16(17)19(25)22-12-15-4-3-11-26-15/h1-2,5-10,15H,3-4,11-12H2,(H,22,25).
What are the key properties of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide?
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 367.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 665439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).