3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole

C24H26N6O — CID 36785792

IUPAC3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CCCN3CCN(c4ncnc5ccccc45)CC3)n2)cc1
InChIInChI=1S/C24H26N6O/c1-18-8-10-19(11-9-18)23-27-22(31-28-23)7-4-12-29-13-15-30(16-14-29)24-20-5-2-3-6-21(20)25-17-26-24/h2-3,5-6,8-11,17H,4,7,12-16H2,1H3
InChIKeyNEHXSLYGXJHFFP-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.74
Rot. Bonds6

About 3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole

3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole (PubChem CID 36785792) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole
PubChem CID36785792
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CCCN3CCN(c4ncnc5ccccc45)CC3)n2)cc1
InChIInChI=1S/C24H26N6O/c1-18-8-10-19(11-9-18)23-27-22(31-28-23)7-4-12-29-13-15-30(16-14-29)24-20-5-2-3-6-21(20)25-17-26-24/h2-3,5-6,8-11,17H,4,7,12-16H2,1H3
InChIKeyNEHXSLYGXJHFFP-UHFFFAOYSA-N
XLogP3.74
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole
CID 166258341
1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]butan-1-one
CID 55621672
N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-quinazolin-4-ylpiperidin-4-amine
CID 166223860
5-[3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 55663484
3-(3-fluoro-4-methylphenyl)-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole
CID 51339767
1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-one
CID 131936248
5-[3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 55446107
2-(methylamino)-1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]ethanone
CID 120703681
3-methyl-1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]butan-1-one
CID 55652242
4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 86891071
1-(4-methylphenyl)-4-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]butane-1,4-dione
CID 55647099
4-(2-ethoxyphenoxy)-1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]butan-1-one
CID 55652220

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole (CID 36785792) is 3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole is Cc1ccc(-c2noc(CCCN3CCN(c4ncnc5ccccc45)CC3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole?
The InChIKey is NEHXSLYGXJHFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-18-8-10-19(11-9-18)23-27-22(31-28-23)7-4-12-29-13-15-30(16-14-29)24-20-5-2-3-6-21(20)25-17-26-24/h2-3,5-6,8-11,17H,4,7,12-16H2,1H3.
What are the key properties of 3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole?
3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole has a molecular weight of 414.51 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole is sourced from PubChem (CID 36785792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).