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

C20H22N4O2 — CID 2215139

IUPAC3-(4-methoxyphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C20H22N4O2/c1-25-18-9-7-16(8-10-18)20-21-19(26-22-20)15-23-11-13-24(14-12-23)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKeyUQMYXOMMKPIMNS-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.07
Rot. Bonds5

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

3-(4-methoxyphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 2215139) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID2215139
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-(4-methoxyphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C20H22N4O2/c1-25-18-9-7-16(8-10-18)20-21-19(26-22-20)15-23-11-13-24(14-12-23)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKeyUQMYXOMMKPIMNS-UHFFFAOYSA-N
XLogP3.07
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Methoxybenzyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine
CID 16189001
4-(3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)-N-phenylpiperazine-1-carboxamide
CID 15978998
(R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone
CID 16736346
2-(4-methylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 68326516
2-(4-methylphenoxy)-N-propan-2-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 71663845
2-(4-Ethylphenoxy)-N-isopropyl-N-((3-pyridin-3-yl)1,2,4-oxadiazol-5-yl)methylacetamide
CID 71664034
N-{3-[4-(5-Methyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-phenyl}-acetamide
CID 655521
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
CID 665665
1-(4-Methoxyphenyl)-4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
CID 1086608
1-{[3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(2-methoxyphenyl)piperazine
CID 1256127
N-isopropyl-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,2-dimethylpropanamide
CID 1258023
4-Benzyl-1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
CID 2213730

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 2215139) is 3-(4-methoxyphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is COc1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is UQMYXOMMKPIMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-25-18-9-7-16(8-10-18)20-21-19(26-22-20)15-23-11-13-24(14-12-23)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 350.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2215139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).