3-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzenesulfonamide

C15H18N6O3S — CID 167889181

IUPAC3-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cccc(-c2noc(Cn3cc(N)cn3)n2)c1
InChIInChI=1S/C15H18N6O3S/c1-10(2)20-25(22,23)13-5-3-4-11(6-13)15-18-14(24-19-15)9-21-8-12(16)7-17-21/h3-8,10,20H,9,16H2,1-2H3
InChIKeyAUOSAXLZKGJKTC-UHFFFAOYSA-N
MW362.42 g/mol
LogP1.25
Rot. Bonds6

About 3-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzenesulfonamide

3-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 167889181) has the molecular formula C15H18N6O3S and a molecular weight of 362.42 g/mol. Its IUPAC name is 3-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzenesulfonamide
PubChem CID167889181
Molecular FormulaC15H18N6O3S
Molecular Weight362.42 g/mol
Exact Mass362.12
IUPAC Name3-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cccc(-c2noc(Cn3cc(N)cn3)n2)c1
InChIInChI=1S/C15H18N6O3S/c1-10(2)20-25(22,23)13-5-3-4-11(6-13)15-18-14(24-19-15)9-21-8-12(16)7-17-21/h3-8,10,20H,9,16H2,1-2H3
InChIKeyAUOSAXLZKGJKTC-UHFFFAOYSA-N
XLogP1.25
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzenesulfonamide with MolForge

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Related Compounds

4-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136889011
1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine
CID 61284572
1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 55103645
3-(3-methoxyphenyl)-5-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 19658032
3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322586
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbenzenesulfonamide
CID 110323036
2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322827
1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 107280048
2,4,6-trimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 7680685
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine
CID 79530204
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 110323025
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate
CID 55500365

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzenesulfonamide (CID 167889181) is 3-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1cccc(-c2noc(Cn3cc(N)cn3)n2)c1.
What is the InChIKey of 3-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is AUOSAXLZKGJKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3S/c1-10(2)20-25(22,23)13-5-3-4-11(6-13)15-18-14(24-19-15)9-21-8-12(16)7-17-21/h3-8,10,20H,9,16H2,1-2H3.
What are the key properties of 3-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzenesulfonamide?
3-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 362.42 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 167889181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).