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

C22H24N4O3 — CID 25238409

IUPAC[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2noc(COc3ccccc3C(=O)N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C22H24N4O3/c1-16-7-9-17(10-8-16)21-23-20(29-24-21)15-28-19-6-4-3-5-18(19)22(27)26-13-11-25(2)12-14-26/h3-10H,11-15H2,1-2H3
InChIKeyRAQXXYMHZDPALZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.01
Rot. Bonds5

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

[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 25238409) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is [2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID25238409
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2noc(COc3ccccc3C(=O)N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C22H24N4O3/c1-16-7-9-17(10-8-16)21-23-20(29-24-21)15-28-19-6-4-3-5-18(19)22(27)26-13-11-25(2)12-14-26/h3-10H,11-15H2,1-2H3
InChIKeyRAQXXYMHZDPALZ-UHFFFAOYSA-N
XLogP3.01
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone
CID 46267115
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 20896118
N-cyclopentyl-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 44522161
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30028981
N-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 25238106
(2-ethoxyphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051395
N-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 25238389
N-(furan-2-ylmethyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267095
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029327
2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43214779
N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238417
[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 55602230

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 25238409) is [2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone is Cc1ccc(-c2noc(COc3ccccc3C(=O)N3CCN(C)CC3)n2)cc1.
What is the InChIKey of [2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is RAQXXYMHZDPALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-7-9-17(10-8-16)21-23-20(29-24-21)15-28-19-6-4-3-5-18(19)22(27)26-13-11-25(2)12-14-26/h3-10H,11-15H2,1-2H3.
What are the key properties of [2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone?
[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 392.46 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 25238409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).