3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

C18H20N6O2 — CID 18167958

IUPAC3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CN3CCN(c4cnccn4)CC3)n2)cc1
InChIInChI=1S/C18H20N6O2/c1-25-15-4-2-14(3-5-15)18-21-17(26-22-18)13-23-8-10-24(11-9-23)16-12-19-6-7-20-16/h2-7,12H,8-11,13H2,1H3
InChIKeyVQJMMYAIHKUFPF-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.86
Rot. Bonds5

About 3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 18167958) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID18167958
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CN3CCN(c4cnccn4)CC3)n2)cc1
InChIInChI=1S/C18H20N6O2/c1-25-15-4-2-14(3-5-15)18-21-17(26-22-18)13-23-8-10-24(11-9-23)16-12-19-6-7-20-16/h2-7,12H,8-11,13H2,1H3
InChIKeyVQJMMYAIHKUFPF-UHFFFAOYSA-N
XLogP1.86
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-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 3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 18167958) is 3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is COc1ccc(-c2noc(CN3CCN(c4cnccn4)CC3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is VQJMMYAIHKUFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-25-15-4-2-14(3-5-15)18-21-17(26-22-18)13-23-8-10-24(11-9-23)16-12-19-6-7-20-16/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 352.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 18167958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).