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

C12H18N4O3S — CID 20965996

IUPAC3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1CNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C12H18N4O3S/c1-7-11(9(3)16(5)14-7)6-13-20(17,18)12-8(2)15-19-10(12)4/h13H,6H2,1-5H3
InChIKeyBQRBMVWTHLAWFZ-UHFFFAOYSA-N
MW298.37 g/mol
LogP1.12
Rot. Bonds4

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

3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 20965996) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide
PubChem CID20965996
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1CNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C12H18N4O3S/c1-7-11(9(3)16(5)14-7)6-13-20(17,18)12-8(2)15-19-10(12)4/h13H,6H2,1-5H3
InChIKeyBQRBMVWTHLAWFZ-UHFFFAOYSA-N
XLogP1.12
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide (CID 20965996) is 3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide is Cc1nn(C)c(C)c1CNS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of 3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is BQRBMVWTHLAWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-7-11(9(3)16(5)14-7)6-13-20(17,18)12-8(2)15-19-10(12)4/h13H,6H2,1-5H3.
What are the key properties of 3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 20965996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).