N-(3-fluorophenyl)-2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide

C19H26FN5O2 — CID 18155999

IUPACN-(3-fluorophenyl)-2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
SMILESCC(C)Cc1noc(CN2CCN(CC(=O)Nc3cccc(F)c3)CC2)n1
InChIInChI=1S/C19H26FN5O2/c1-14(2)10-17-22-19(27-23-17)13-25-8-6-24(7-9-25)12-18(26)21-16-5-3-4-15(20)11-16/h3-5,11,14H,6-10,12-13H2,1-2H3,(H,21,26)
InChIKeyICCMUDZVRNGWCW-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.16
Rot. Bonds7

About N-(3-fluorophenyl)-2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide (PubChem CID 18155999) has the molecular formula C19H26FN5O2 and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
PubChem CID18155999
Molecular FormulaC19H26FN5O2
Molecular Weight375.45 g/mol
Exact Mass375.21
IUPAC NameN-(3-fluorophenyl)-2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
SMILESCC(C)Cc1noc(CN2CCN(CC(=O)Nc3cccc(F)c3)CC2)n1
InChIInChI=1S/C19H26FN5O2/c1-14(2)10-17-22-19(27-23-17)13-25-8-6-24(7-9-25)12-18(26)21-16-5-3-4-15(20)11-16/h3-5,11,14H,6-10,12-13H2,1-2H3,(H,21,26)
InChIKeyICCMUDZVRNGWCW-UHFFFAOYSA-N
XLogP2.16
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-fluorophenyl)-2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide 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-(3-fluorophenyl)-2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide (CID 18155999) is N-(3-fluorophenyl)-2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide is CC(C)Cc1noc(CN2CCN(CC(=O)Nc3cccc(F)c3)CC2)n1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide?
The InChIKey is ICCMUDZVRNGWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O2/c1-14(2)10-17-22-19(27-23-17)13-25-8-6-24(7-9-25)12-18(26)21-16-5-3-4-15(20)11-16/h3-5,11,14H,6-10,12-13H2,1-2H3,(H,21,26).
What are the key properties of N-(3-fluorophenyl)-2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide has a molecular weight of 375.45 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 18155999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).