3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide

C10H14N4O3S — CID 54896626

IUPAC3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cn[nH]c1C
InChIInChI=1S/C10H14N4O3S/c1-6-9(4-11-13-6)5-12-18(15,16)10-7(2)14-17-8(10)3/h4,12H,5H2,1-3H3,(H,11,13)
InChIKeyGFHLPZVURNDEHO-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.80
Rot. Bonds4

About 3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 54896626) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide
PubChem CID54896626
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cn[nH]c1C
InChIInChI=1S/C10H14N4O3S/c1-6-9(4-11-13-6)5-12-18(15,16)10-7(2)14-17-8(10)3/h4,12H,5H2,1-3H3,(H,11,13)
InChIKeyGFHLPZVURNDEHO-UHFFFAOYSA-N
XLogP0.80
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide (CID 54896626) is 3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCc1cn[nH]c1C.
What is the InChIKey of 3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is GFHLPZVURNDEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-6-9(4-11-13-6)5-12-18(15,16)10-7(2)14-17-8(10)3/h4,12H,5H2,1-3H3,(H,11,13).
What are the key properties of 3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 270.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 54896626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).