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

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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).