2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole

C23H28N6O — CID 170665199

IUPAC2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole
SMILESCc1cc(N2CCNCC2)ccc1-c1nnc(-c2ccc(N3CCNCC3)cc2)o1
InChIInChI=1S/C23H28N6O/c1-17-16-20(29-14-10-25-11-15-29)6-7-21(17)23-27-26-22(30-23)18-2-4-19(5-3-18)28-12-8-24-9-13-28/h2-7,16,24-25H,8-15H2,1H3
InChIKeyZUIKMKSSPIGXGH-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.53
Rot. Bonds4

About 2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole

2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole (PubChem CID 170665199) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole
PubChem CID170665199
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole
SMILESCc1cc(N2CCNCC2)ccc1-c1nnc(-c2ccc(N3CCNCC3)cc2)o1
InChIInChI=1S/C23H28N6O/c1-17-16-20(29-14-10-25-11-15-29)6-7-21(17)23-27-26-22(30-23)18-2-4-19(5-3-18)28-12-8-24-9-13-28/h2-7,16,24-25H,8-15H2,1H3
InChIKeyZUIKMKSSPIGXGH-UHFFFAOYSA-N
XLogP2.53
TPSA69.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole
CID 82483538
2-(4-methylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole
CID 28808850
2-[4-(1,4-diazepan-1-yl)phenyl]-5-methyl-1,3-oxazole
CID 82483111
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole
CID 82478157
2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole
CID 59454427
2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine
CID 82487680
4-[4-(4-amino-3-methylphenyl)-1,4,7-triazonan-1-yl]-2-methylaniline
CID 23103839
1-(4-bromo-3-methylphenyl)piperazine;hydrochloride
CID 21071017
4-(1,4-diazepan-1-yl)-2-methylbenzoic acid
CID 115760457
2,4-dimethyl-6-(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 82487984
2,4,6-tris(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 146566089

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole (CID 170665199) is 2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole is Cc1cc(N2CCNCC2)ccc1-c1nnc(-c2ccc(N3CCNCC3)cc2)o1.
What is the InChIKey of 2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole?
The InChIKey is ZUIKMKSSPIGXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-17-16-20(29-14-10-25-11-15-29)6-7-21(17)23-27-26-22(30-23)18-2-4-19(5-3-18)28-12-8-24-9-13-28/h2-7,16,24-25H,8-15H2,1H3.
What are the key properties of 2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole?
2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole has a molecular weight of 404.52 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 170665199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).