[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

C24H26N6O2S — CID 55852247

IUPAC[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1ccc(-c2noc(CCCN3CCN(C(=O)c4cc(-c5cccs5)[nH]n4)CC3)n2)cc1
InChIInChI=1S/C24H26N6O2S/c1-17-6-8-18(9-7-17)23-25-22(32-28-23)5-2-10-29-11-13-30(14-12-29)24(31)20-16-19(26-27-20)21-4-3-15-33-21/h3-4,6-9,15-16H,2,5,10-14H2,1H3,(H,26,27)
InChIKeyBHDIETIDTCBSLR-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.89
Rot. Bonds7

About [4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 55852247) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is [4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID55852247
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC Name[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1ccc(-c2noc(CCCN3CCN(C(=O)c4cc(-c5cccs5)[nH]n4)CC3)n2)cc1
InChIInChI=1S/C24H26N6O2S/c1-17-6-8-18(9-7-17)23-25-22(32-28-23)5-2-10-29-11-13-30(14-12-29)24(31)20-16-19(26-27-20)21-4-3-15-33-21/h3-4,6-9,15-16H,2,5,10-14H2,1H3,(H,26,27)
InChIKeyBHDIETIDTCBSLR-UHFFFAOYSA-N
XLogP3.89
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 55746218
(4-methylphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 51263051
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 78835620
(4-methylsulfinylphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 78826694
4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 112842093
(2,5-dichlorothiophen-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 55446847
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone
CID 55647071
1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]butan-1-one
CID 55621672
3-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 78826700
3-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 55511601
4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one
CID 55446960
(3-propoxyphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 55772807

Frequently Asked Questions

What is the IUPAC name of [4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone (CID 55852247) is [4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone is Cc1ccc(-c2noc(CCCN3CCN(C(=O)c4cc(-c5cccs5)[nH]n4)CC3)n2)cc1.
What is the InChIKey of [4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is BHDIETIDTCBSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c1-17-6-8-18(9-7-17)23-25-22(32-28-23)5-2-10-29-11-13-30(14-12-29)24(31)20-16-19(26-27-20)21-4-3-15-33-21/h3-4,6-9,15-16H,2,5,10-14H2,1H3,(H,26,27).
What are the key properties of [4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 462.58 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 55852247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).