2-[2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-5-methyl-1,3,4-oxadiazole

C23H28N4O3 — CID 13062002

IUPAC2-[2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1cccc(N2CCN(CCCOc3ccccc3-c3nnc(C)o3)CC2)c1
InChIInChI=1S/C23H28N4O3/c1-18-24-25-23(30-18)21-9-3-4-10-22(21)29-16-6-11-26-12-14-27(15-13-26)19-7-5-8-20(17-19)28-2/h3-5,7-10,17H,6,11-16H2,1-2H3
InChIKeyZTZGUAYDVBWCKG-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.64
Rot. Bonds8

About 2-[2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-5-methyl-1,3,4-oxadiazole

2-[2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 13062002) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-5-methyl-1,3,4-oxadiazole
PubChem CID13062002
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-[2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1cccc(N2CCN(CCCOc3ccccc3-c3nnc(C)o3)CC2)c1
InChIInChI=1S/C23H28N4O3/c1-18-24-25-23(30-18)21-9-3-4-10-22(21)29-16-6-11-26-12-14-27(15-13-26)19-7-5-8-20(17-19)28-2/h3-5,7-10,17H,6,11-16H2,1-2H3
InChIKeyZTZGUAYDVBWCKG-UHFFFAOYSA-N
XLogP3.64
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione
CID 164621183
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 4824709
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine
CID 79479255
2-[4-[3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propyl]piperazin-1-yl]pyrimidine;hydrochloride
CID 25157256
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
2-[(1S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 94176715
2-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-methyl-1,3,4-oxadiazole
CID 53068043
2-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]-1,3,4-oxadiazole
CID 13062016
3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate
CID 15572537
6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine
CID 106799286

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-5-methyl-1,3,4-oxadiazole (CID 13062002) is 2-[2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-5-methyl-1,3,4-oxadiazole is COc1cccc(N2CCN(CCCOc3ccccc3-c3nnc(C)o3)CC2)c1.
What is the InChIKey of 2-[2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is ZTZGUAYDVBWCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-18-24-25-23(30-18)21-9-3-4-10-22(21)29-16-6-11-26-12-14-27(15-13-26)19-7-5-8-20(17-19)28-2/h3-5,7-10,17H,6,11-16H2,1-2H3.
What are the key properties of 2-[2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-5-methyl-1,3,4-oxadiazole?
2-[2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 408.50 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 13062002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).