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

C12H18N4O3S — CID 19916040

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)Cc1cnn(C)c1C
InChIInChI=1S/C12H18N4O3S/c1-8-12(10(3)19-14-8)20(17,18)15(4)7-11-6-13-16(5)9(11)2/h6H,7H2,1-5H3
InChIKeyGTMWMWRPUFYQKR-UHFFFAOYSA-N
MW298.37 g/mol
LogP1.15
Rot. Bonds4

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 19916040) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
PubChem CID19916040
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)Cc1cnn(C)c1C
InChIInChI=1S/C12H18N4O3S/c1-8-12(10(3)19-14-8)20(17,18)15(4)7-11-6-13-16(5)9(11)2/h6H,7H2,1-5H3
InChIKeyGTMWMWRPUFYQKR-UHFFFAOYSA-N
XLogP1.15
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (CID 19916040) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(C)Cc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is GTMWMWRPUFYQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-8-12(10(3)19-14-8)20(17,18)15(4)7-11-6-13-16(5)9(11)2/h6H,7H2,1-5H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 19916040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).