1-[4-acetyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone

C23H24N4O5 — CID 68688695

IUPAC1-[4-acetyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone
SMILESCOc1ccc(-c2noc(C3CN(C(C)=O)CCN3C(=O)COc3ccccc3)n2)cc1
InChIInChI=1S/C23H24N4O5/c1-16(28)26-12-13-27(21(29)15-31-19-6-4-3-5-7-19)20(14-26)23-24-22(25-32-23)17-8-10-18(30-2)11-9-17/h3-11,20H,12-15H2,1-2H3
InChIKeyRDNAUJPIMZCEJI-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.56
Rot. Bonds6

About 1-[4-acetyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone

1-[4-acetyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone (PubChem CID 68688695) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 1-[4-acetyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-acetyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone
PubChem CID68688695
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name1-[4-acetyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone
SMILESCOc1ccc(-c2noc(C3CN(C(C)=O)CCN3C(=O)COc3ccccc3)n2)cc1
InChIInChI=1S/C23H24N4O5/c1-16(28)26-12-13-27(21(29)15-31-19-6-4-3-5-7-19)20(14-26)23-24-22(25-32-23)17-8-10-18(30-2)11-9-17/h3-11,20H,12-15H2,1-2H3
InChIKeyRDNAUJPIMZCEJI-UHFFFAOYSA-N
XLogP2.56
TPSA98.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-acetyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone with MolForge

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Related Compounds

3-[5-[4-acetyl-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 68687585
1-[2-[3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68690074
1-[(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 7356627
2-(4-chlorophenoxy)-1-[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 7360540
1-[2-[3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689193
2-phenoxy-1-[2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 68686960
N-ethyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 68687065
N,N-dimethyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 68688156
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 5042134
1-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
CID 91916593
2-(4-methoxyphenyl)-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 125128716
N-[4-[5-[(3R)-1-[2-(4-methoxyphenoxy)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 93071652

Frequently Asked Questions

What is the IUPAC name of 1-[4-acetyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-acetyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone (CID 68688695) is 1-[4-acetyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-acetyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-acetyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone is COc1ccc(-c2noc(C3CN(C(C)=O)CCN3C(=O)COc3ccccc3)n2)cc1.
What is the InChIKey of 1-[4-acetyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is RDNAUJPIMZCEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-16(28)26-12-13-27(21(29)15-31-19-6-4-3-5-7-19)20(14-26)23-24-22(25-32-23)17-8-10-18(30-2)11-9-17/h3-11,20H,12-15H2,1-2H3.
What are the key properties of 1-[4-acetyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone?
1-[4-acetyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 436.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-acetyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 68688695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).