(4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone

C28H28N4O3 — CID 46267115

IUPAC(4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone
SMILESCc1ccc(-c2noc(COc3ccccc3C(=O)N3CCN(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C28H28N4O3/c1-21-11-13-23(14-12-21)27-29-26(35-30-27)20-34-25-10-6-5-9-24(25)28(33)32-17-15-31(16-18-32)19-22-7-3-2-4-8-22/h2-14H,15-20H2,1H3
InChIKeyCQSTYCNAZLZOLC-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.58
Rot. Bonds7

About (4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone

(4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone (PubChem CID 46267115) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone
PubChem CID46267115
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name(4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone
SMILESCc1ccc(-c2noc(COc3ccccc3C(=O)N3CCN(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C28H28N4O3/c1-21-11-13-23(14-12-21)27-29-26(35-30-27)20-34-25-10-6-5-9-24(25)28(33)32-17-15-31(16-18-32)19-22-7-3-2-4-8-22/h2-14H,15-20H2,1H3
InChIKeyCQSTYCNAZLZOLC-UHFFFAOYSA-N
XLogP4.58
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone with MolForge

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Related Compounds

[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 25238409
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 20896118
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
CID 46521299
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30028981
(4-benzylpiperazin-1-yl)-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 7964644
(2,5-difluorophenyl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 25492765
N-cyclopentyl-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 44522161
(2,5-dimethylfuran-3-yl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 37250280
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46493183
(3-methyl-1,2-oxazol-5-yl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 37250144
(6-chloroquinolin-8-yl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 55887782
N-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 25238106

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone (CID 46267115) is (4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone is Cc1ccc(-c2noc(COc3ccccc3C(=O)N3CCN(Cc4ccccc4)CC3)n2)cc1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone?
The InChIKey is CQSTYCNAZLZOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-21-11-13-23(14-12-21)27-29-26(35-30-27)20-34-25-10-6-5-9-24(25)28(33)32-17-15-31(16-18-32)19-22-7-3-2-4-8-22/h2-14H,15-20H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone?
(4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone has a molecular weight of 468.56 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone is sourced from PubChem (CID 46267115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).