2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone

C21H22N4O3 — CID 46266638

IUPAC2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1noc(-c2cccc(OCC(=O)N3CCN(c4ccccc4)CC3)c2)n1
InChIInChI=1S/C21H22N4O3/c1-16-22-21(28-23-16)17-6-5-9-19(14-17)27-15-20(26)25-12-10-24(11-13-25)18-7-3-2-4-8-18/h2-9,14H,10-13,15H2,1H3
InChIKeyQQZLIFYPXWUXHT-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.77
Rot. Bonds5

About 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone

2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 46266638) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID46266638
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1noc(-c2cccc(OCC(=O)N3CCN(c4ccccc4)CC3)c2)n1
InChIInChI=1S/C21H22N4O3/c1-16-22-21(28-23-16)17-6-5-9-19(14-17)27-15-20(26)25-12-10-24(11-13-25)18-7-3-2-4-8-18/h2-9,14H,10-13,15H2,1H3
InChIKeyQQZLIFYPXWUXHT-UHFFFAOYSA-N
XLogP2.77
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone
CID 46266562
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50754150
2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 46266568
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 25238351
2-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 45032454
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate
CID 8910389
2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone
CID 113079212
1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 46266743
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 25238092
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 113075907

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone (CID 46266638) is 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone is Cc1noc(-c2cccc(OCC(=O)N3CCN(c4ccccc4)CC3)c2)n1.
What is the InChIKey of 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is QQZLIFYPXWUXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-16-22-21(28-23-16)17-6-5-9-19(14-17)27-15-20(26)25-12-10-24(11-13-25)18-7-3-2-4-8-18/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 378.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 46266638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).