cyclopropyl-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone

C17H19FN4O2 — CID 42691968

IUPACcyclopropyl-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(Cc2noc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C17H19FN4O2/c18-14-3-1-2-13(10-14)16-19-15(20-24-16)11-21-6-8-22(9-7-21)17(23)12-4-5-12/h1-3,10,12H,4-9,11H2
InChIKeyBHUYJYKAXHQQIS-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.93
Rot. Bonds4

About cyclopropyl-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone

cyclopropyl-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone (PubChem CID 42691968) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is cyclopropyl-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone
PubChem CID42691968
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Namecyclopropyl-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(Cc2noc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C17H19FN4O2/c18-14-3-1-2-13(10-14)16-19-15(20-24-16)11-21-6-8-22(9-7-21)17(23)12-4-5-12/h1-3,10,12H,4-9,11H2
InChIKeyBHUYJYKAXHQQIS-UHFFFAOYSA-N
XLogP1.93
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone 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 cyclopropyl-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone (CID 42691968) is cyclopropyl-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(Cc2noc(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of cyclopropyl-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is BHUYJYKAXHQQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-14-3-1-2-13(10-14)16-19-15(20-24-16)11-21-6-8-22(9-7-21)17(23)12-4-5-12/h1-3,10,12H,4-9,11H2.
What are the key properties of cyclopropyl-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 330.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 42691968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).