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

C11H16N4O3S — CID 39735381

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1nn(C)cc1CNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C11H16N4O3S/c1-7-10(6-15(4)13-7)5-12-19(16,17)11-8(2)14-18-9(11)3/h6,12H,5H2,1-4H3
InChIKeyVAVKTTMLLYGBTP-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.81
Rot. Bonds4

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 39735381) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID39735381
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1nn(C)cc1CNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C11H16N4O3S/c1-7-10(6-15(4)13-7)5-12-19(16,17)11-8(2)14-18-9(11)3/h6,12H,5H2,1-4H3
InChIKeyVAVKTTMLLYGBTP-UHFFFAOYSA-N
XLogP0.81
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 39735381) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1nn(C)cc1CNS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is VAVKTTMLLYGBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-7-10(6-15(4)13-7)5-12-19(16,17)11-8(2)14-18-9(11)3/h6,12H,5H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 39735381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).