1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone

C27H25FN4O3 — CID 46266562

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone
SMILESCc1ccc(-c2noc(-c3cccc(OCC(=O)N4CCN(c5ccc(F)cc5)CC4)c3)n2)cc1
InChIInChI=1S/C27H25FN4O3/c1-19-5-7-20(8-6-19)26-29-27(35-30-26)21-3-2-4-24(17-21)34-18-25(33)32-15-13-31(14-16-32)23-11-9-22(28)10-12-23/h2-12,17H,13-16,18H2,1H3
InChIKeyFVIYFJSOCFMQIN-UHFFFAOYSA-N
MW472.52 g/mol
LogP4.58
Rot. Bonds6

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone (PubChem CID 46266562) has the molecular formula C27H25FN4O3 and a molecular weight of 472.52 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone
PubChem CID46266562
Molecular FormulaC27H25FN4O3
Molecular Weight472.52 g/mol
Exact Mass472.19
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone
SMILESCc1ccc(-c2noc(-c3cccc(OCC(=O)N4CCN(c5ccc(F)cc5)CC4)c3)n2)cc1
InChIInChI=1S/C27H25FN4O3/c1-19-5-7-20(8-6-19)26-29-27(35-30-26)21-3-2-4-24(17-21)34-18-25(33)32-15-13-31(14-16-32)23-11-9-22(28)10-12-23/h2-12,17H,13-16,18H2,1H3
InChIKeyFVIYFJSOCFMQIN-UHFFFAOYSA-N
XLogP4.58
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50754150
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone
CID 46266638
2-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 45032454
2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 46266568
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone
CID 25238267
2-(3-bromophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 9077805
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 50828707
N-(3-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxamide
CID 50780378
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 9303326
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 50828762
2-(4-chlorophenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 52998844
2-(4-bromo-3,5-dimethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 982302

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone (CID 46266562) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone is Cc1ccc(-c2noc(-c3cccc(OCC(=O)N4CCN(c5ccc(F)cc5)CC4)c3)n2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone?
The InChIKey is FVIYFJSOCFMQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O3/c1-19-5-7-20(8-6-19)26-29-27(35-30-26)21-3-2-4-24(17-21)34-18-25(33)32-15-13-31(14-16-32)23-11-9-22(28)10-12-23/h2-12,17H,13-16,18H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone has a molecular weight of 472.52 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone is sourced from PubChem (CID 46266562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).