N-[3-[3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide

C21H22N4O4S — CID 53130603

IUPACN-[3-[3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESCS(=O)(=O)N1CCC(c2noc(-c3cccc(NC(=O)c4ccccc4)c3)n2)CC1
InChIInChI=1S/C21H22N4O4S/c1-30(27,28)25-12-10-15(11-13-25)19-23-21(29-24-19)17-8-5-9-18(14-17)22-20(26)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H,22,26)
InChIKeyKLQCOZSLRYEPTO-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.13
Rot. Bonds5

About N-[3-[3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide

N-[3-[3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (PubChem CID 53130603) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[3-[3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
PubChem CID53130603
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC NameN-[3-[3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESCS(=O)(=O)N1CCC(c2noc(-c3cccc(NC(=O)c4ccccc4)c3)n2)CC1
InChIInChI=1S/C21H22N4O4S/c1-30(27,28)25-12-10-15(11-13-25)19-23-21(29-24-19)17-8-5-9-18(14-17)22-20(26)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H,22,26)
InChIKeyKLQCOZSLRYEPTO-UHFFFAOYSA-N
XLogP3.13
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 53130602
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 65390325
5-phenyl-3-[1-(2,4,5-trimethylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 50835869
methyl 2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylbenzoate
CID 53130831
methyl 3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoylamino]-3-phenylpropanoate
CID 47051070
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide
CID 110643697
N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 4972613
3-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 53130697
N-(1,3-benzodioxol-5-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50828830
methyl 4-bromo-3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]sulfamoyl]benzoate
CID 47063216
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 62927064
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110643698

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The IUPAC name of N-[3-[3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (CID 53130603) is N-[3-[3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.
What is the SMILES notation for N-[3-[3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The canonical SMILES for N-[3-[3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is CS(=O)(=O)N1CCC(c2noc(-c3cccc(NC(=O)c4ccccc4)c3)n2)CC1.
What is the InChIKey of N-[3-[3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The InChIKey is KLQCOZSLRYEPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-30(27,28)25-12-10-15(11-13-25)19-23-21(29-24-19)17-8-5-9-18(14-17)22-20(26)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H,22,26).
What are the key properties of N-[3-[3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
N-[3-[3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide has a molecular weight of 426.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 53130603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).