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

C19H18FN3O2 — CID 50828887

IUPACN-butan-2-yl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCCC(C)NC(=O)c1cccc(-c2nc(-c3cccc(F)c3)no2)c1
InChIInChI=1S/C19H18FN3O2/c1-3-12(2)21-18(24)14-7-4-8-15(10-14)19-22-17(23-25-19)13-6-5-9-16(20)11-13/h4-12H,3H2,1-2H3,(H,21,24)
InChIKeyILUXWWNFSXJTCS-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.07
Rot. Bonds5

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

N-butan-2-yl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 50828887) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-butan-2-yl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID50828887
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-butan-2-yl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCCC(C)NC(=O)c1cccc(-c2nc(-c3cccc(F)c3)no2)c1
InChIInChI=1S/C19H18FN3O2/c1-3-12(2)21-18(24)14-7-4-8-15(10-14)19-22-17(23-25-19)13-6-5-9-16(20)11-13/h4-12H,3H2,1-2H3,(H,21,24)
InChIKeyILUXWWNFSXJTCS-UHFFFAOYSA-N
XLogP4.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]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 N-butan-2-yl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N-butan-2-yl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide (CID 50828887) is N-butan-2-yl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N-butan-2-yl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide is CCC(C)NC(=O)c1cccc(-c2nc(-c3cccc(F)c3)no2)c1.
What is the InChIKey of N-butan-2-yl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is ILUXWWNFSXJTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-3-12(2)21-18(24)14-7-4-8-15(10-14)19-22-17(23-25-19)13-6-5-9-16(20)11-13/h4-12H,3H2,1-2H3,(H,21,24).
What are the key properties of N-butan-2-yl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide?
N-butan-2-yl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 339.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 50828887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).