1-(2-Methoxybenzyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine

C21H24N4O2 — CID 16189001

IUPAC5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
SMILESCOC1=CC=CC=C1CN2CCN(CC2)CC3=NC(=NO3)C4=CC=CC=C4
InChIInChI=1S/C21H24N4O2/c1-26-19-10-6-5-9-18(19)15-24-11-13-25(14-12-24)16-20-22-21(23-27-20)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyNOWKUGWNMGBEAV-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.90
Rot. Bonds6

About 1-(2-Methoxybenzyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine

1-(2-Methoxybenzyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine (PubChem CID 16189001) has the molecular formula C21H24N4O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name1-(2-Methoxybenzyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine
PubChem CID16189001
Molecular FormulaC21H24N4O2
Molecular Weight364.40 g/mol
Exact Mass364.19
IUPAC Name5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
SMILESCOC1=CC=CC=C1CN2CCN(CC2)CC3=NC(=NO3)C4=CC=CC=C4
InChIInChI=1S/C21H24N4O2/c1-26-19-10-6-5-9-18(19)15-24-11-13-25(14-12-24)16-20-22-21(23-27-20)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyNOWKUGWNMGBEAV-UHFFFAOYSA-N
XLogP2.90
TPSA54.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity438

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-Methoxybenzyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(morpholin-4-yl)butan-1-one
CID 1836481
3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 2020010
2-(3-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 6473367
N-Isopropyl-N-((3-p-tolyl-1,2,4-oxadiazol-5-yl)methyl)-2-(p-tolyloxy)acetamide
CID 2215326
2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2987737
2-(4-ethylphenoxy)-N-isopropyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 2992442
Cyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 4235504
5-(1-Azabicyclo[2.2.2]octan-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 14810888
2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide
CID 16475480
(R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone
CID 16736346
N-Isopropyl-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 71663305
N-Isopropyl-2-(p-tolyloxy)-N-((3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 71663503

Frequently Asked Questions

What is the IUPAC name of 1-(2-Methoxybenzyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine?
The IUPAC name of 1-(2-Methoxybenzyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine (CID 16189001) is 5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 1-(2-Methoxybenzyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine?
The canonical SMILES for 1-(2-Methoxybenzyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine is COC1=CC=CC=C1CN2CCN(CC2)CC3=NC(=NO3)C4=CC=CC=C4.
What is the InChIKey of 1-(2-Methoxybenzyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine?
The InChIKey is NOWKUGWNMGBEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-26-19-10-6-5-9-18(19)15-24-11-13-25(14-12-24)16-20-22-21(23-27-20)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3.
What are the key properties of 1-(2-Methoxybenzyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine?
1-(2-Methoxybenzyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine has a molecular weight of 364.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-Methoxybenzyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine is sourced from PubChem (CID 16189001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).