3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate

C23H26N4O5S — CID 55568059

IUPAC3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)OCCCc2nc(-c3cccnc3)no2)cc1
InChIInChI=1S/C23H26N4O5S/c1-17-6-2-3-14-27(17)33(29,30)20-11-9-18(10-12-20)23(28)31-15-5-8-21-25-22(26-32-21)19-7-4-13-24-16-19/h4,7,9-13,16-17H,2-3,5-6,8,14-15H2,1H3
InChIKeyUYVRNCKETWWDCK-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.48
Rot. Bonds8

About 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate

3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate (PubChem CID 55568059) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate.

Molecular Properties

Compound Name3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate
PubChem CID55568059
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)OCCCc2nc(-c3cccnc3)no2)cc1
InChIInChI=1S/C23H26N4O5S/c1-17-6-2-3-14-27(17)33(29,30)20-11-9-18(10-12-20)23(28)31-15-5-8-21-25-22(26-32-21)19-7-4-13-24-16-19/h4,7,9-13,16-17H,2-3,5-6,8,14-15H2,1H3
InChIKeyUYVRNCKETWWDCK-UHFFFAOYSA-N
XLogP3.48
TPSA115.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 55488125
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 55487816
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-[methyl(phenyl)sulfamoyl]benzoate
CID 55488292
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate
CID 55488811
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
CID 55568421
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 2-chloro-5-methylsulfonylbenzoate
CID 55488895
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-sulfamoylbenzoate
CID 55499436
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 55568749
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate
CID 55500365
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 5-(diethylsulfamoyl)-2-methylbenzoate
CID 55568413
(5-methyl-1,2-oxazol-3-yl)methyl 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 9061168
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 55487979

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate?
The IUPAC name of 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate (CID 55568059) is 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate.
What is the SMILES notation for 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate?
The canonical SMILES for 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate is CC1CCCCN1S(=O)(=O)c1ccc(C(=O)OCCCc2nc(-c3cccnc3)no2)cc1.
What is the InChIKey of 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate?
The InChIKey is UYVRNCKETWWDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-17-6-2-3-14-27(17)33(29,30)20-11-9-18(10-12-20)23(28)31-15-5-8-21-25-22(26-32-21)19-7-4-13-24-16-19/h4,7,9-13,16-17H,2-3,5-6,8,14-15H2,1H3.
What are the key properties of 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate?
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate has a molecular weight of 470.55 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate is sourced from PubChem (CID 55568059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).