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

C11H16N4O3S — CID 35527395

IUPACN,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)Cc1ccnn1C
InChIInChI=1S/C11H16N4O3S/c1-8-11(9(2)18-13-8)19(16,17)14(3)7-10-5-6-12-15(10)4/h5-6H,7H2,1-4H3
InChIKeyNMJGQNDWVPKQKB-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.85
Rot. Bonds4

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

N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 35527395) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide
PubChem CID35527395
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC NameN,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)Cc1ccnn1C
InChIInChI=1S/C11H16N4O3S/c1-8-11(9(2)18-13-8)19(16,17)14(3)7-10-5-6-12-15(10)4/h5-6H,7H2,1-4H3
InChIKeyNMJGQNDWVPKQKB-UHFFFAOYSA-N
XLogP0.85
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(2-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 119106360
N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 47318835
N-(1H-imidazol-2-ylmethyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 64518245
N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 46458732
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 9117745
3,4-dimethoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 35521053
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 19916035
propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide
CID 170621891
N-[(5-fluoro-2-methoxyphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 24608462
N-(1,3-benzodioxol-5-ylmethyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 43029551
N,3,5-trimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94872741
N,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide
CID 113094567

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide (CID 35527395) is N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(C)Cc1ccnn1C.
What is the InChIKey of N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is NMJGQNDWVPKQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-8-11(9(2)18-13-8)19(16,17)14(3)7-10-5-6-12-15(10)4/h5-6H,7H2,1-4H3.
What are the key properties of N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide?
N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 35527395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).