2-[4-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenoxy]acetamide

C15H16N6O5S — CID 121022149

IUPAC2-[4-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenoxy]acetamide
SMILESCn1cc(-c2noc(CNS(=O)(=O)c3ccc(OCC(N)=O)cc3)n2)cn1
InChIInChI=1S/C15H16N6O5S/c1-21-8-10(6-17-21)15-19-14(26-20-15)7-18-27(23,24)12-4-2-11(3-5-12)25-9-13(16)22/h2-6,8,18H,7,9H2,1H3,(H2,16,22)
InChIKeyMTGQYPUVPKBFLS-UHFFFAOYSA-N
MW392.40 g/mol
LogP-0.19
Rot. Bonds8

About 2-[4-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenoxy]acetamide

2-[4-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenoxy]acetamide (PubChem CID 121022149) has the molecular formula C15H16N6O5S and a molecular weight of 392.40 g/mol. Its IUPAC name is 2-[4-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenoxy]acetamide
PubChem CID121022149
Molecular FormulaC15H16N6O5S
Molecular Weight392.40 g/mol
Exact Mass392.09
IUPAC Name2-[4-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenoxy]acetamide
SMILESCn1cc(-c2noc(CNS(=O)(=O)c3ccc(OCC(N)=O)cc3)n2)cn1
InChIInChI=1S/C15H16N6O5S/c1-21-8-10(6-17-21)15-19-14(26-20-15)7-18-27(23,24)12-4-2-11(3-5-12)25-9-13(16)22/h2-6,8,18H,7,9H2,1H3,(H2,16,22)
InChIKeyMTGQYPUVPKBFLS-UHFFFAOYSA-N
XLogP-0.19
TPSA155.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenoxy]acetamide with MolForge

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Related Compounds

5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 121195101
N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 121195118
2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 19328743
N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 119104925
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154665
N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 119104940
2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 121195077
2-[4-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methylsulfamoyl]phenoxy]acetamide
CID 121020043
N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65196540
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
CID 99184418
3-chloro-N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
CID 119104989
4-acetyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122275576

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenoxy]acetamide (CID 121022149) is 2-[4-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenoxy]acetamide is Cn1cc(-c2noc(CNS(=O)(=O)c3ccc(OCC(N)=O)cc3)n2)cn1.
What is the InChIKey of 2-[4-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenoxy]acetamide?
The InChIKey is MTGQYPUVPKBFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O5S/c1-21-8-10(6-17-21)15-19-14(26-20-15)7-18-27(23,24)12-4-2-11(3-5-12)25-9-13(16)22/h2-6,8,18H,7,9H2,1H3,(H2,16,22).
What are the key properties of 2-[4-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenoxy]acetamide?
2-[4-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenoxy]acetamide has a molecular weight of 392.40 g/mol, XLogP of -0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 121022149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).