3-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,2,4-oxadiazole-5-carboxamide

C10H14N6O4S — CID 122569765

IUPAC3-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1noc(C(N)=O)n1
InChIInChI=1S/C10H14N6O4S/c1-5-8(6(2)16(3)14-5)21(18,19)12-4-7-13-10(9(11)17)20-15-7/h12H,4H2,1-3H3,(H2,11,17)
InChIKeyVLZZXLARFGXSHV-UHFFFAOYSA-N
MW314.33 g/mol
LogP-1.00
Rot. Bonds5

About 3-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,2,4-oxadiazole-5-carboxamide

3-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 122569765) has the molecular formula C10H14N6O4S and a molecular weight of 314.33 g/mol. Its IUPAC name is 3-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID122569765
Molecular FormulaC10H14N6O4S
Molecular Weight314.33 g/mol
Exact Mass314.08
IUPAC Name3-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1noc(C(N)=O)n1
InChIInChI=1S/C10H14N6O4S/c1-5-8(6(2)16(3)14-5)21(18,19)12-4-7-13-10(9(11)17)20-15-7/h12H,4H2,1-3H3,(H2,11,17)
InChIKeyVLZZXLARFGXSHV-UHFFFAOYSA-N
XLogP-1.00
TPSA146.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-aminoethyl)-3,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106410831
1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106410381
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
2-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380496
N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115613419
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 122254927
N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 106141584
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 79523965
1,3,5-trimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
CID 55028509
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 154764538
1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide
CID 126821597
N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 154837399

Frequently Asked Questions

What is the IUPAC name of 3-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 122569765) is 3-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,2,4-oxadiazole-5-carboxamide is Cc1nn(C)c(C)c1S(=O)(=O)NCc1noc(C(N)=O)n1.
What is the InChIKey of 3-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is VLZZXLARFGXSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O4S/c1-5-8(6(2)16(3)14-5)21(18,19)12-4-7-13-10(9(11)17)20-15-7/h12H,4H2,1-3H3,(H2,11,17).
What are the key properties of 3-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 314.33 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 122569765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).