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

C11H16N4O3S — CID 94162195

IUPAC3,5-dimethyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)Cn1cccn1
InChIInChI=1S/C11H16N4O3S/c1-8(7-15-6-4-5-12-15)14-19(16,17)11-9(2)13-18-10(11)3/h4-6,8,14H,7H2,1-3H3/t8-/m0/s1
InChIKeyQQRPLMYNCCXCAC-QMMMGPOBSA-N
MW284.34 g/mol
LogP0.85
Rot. Bonds5

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

3,5-dimethyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide (PubChem CID 94162195) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide
PubChem CID94162195
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name3,5-dimethyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)Cn1cccn1
InChIInChI=1S/C11H16N4O3S/c1-8(7-15-6-4-5-12-15)14-19(16,17)11-9(2)13-18-10(11)3/h4-6,8,14H,7H2,1-3H3/t8-/m0/s1
InChIKeyQQRPLMYNCCXCAC-QMMMGPOBSA-N
XLogP0.85
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 79569041
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 79027700
N-[(2R)-1-aminopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 104873362
3-amino-1,5-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-4-sulfonamide
CID 105358699
2-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 63945800
3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 94639946
3,5-dimethyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 124761115
2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 61052500
5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 63328643
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 51084495
3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61459524
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 55941346

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide (CID 94162195) is 3,5-dimethyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N[C@@H](C)Cn1cccn1.
What is the InChIKey of 3,5-dimethyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide?
The InChIKey is QQRPLMYNCCXCAC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-8(7-15-6-4-5-12-15)14-19(16,17)11-9(2)13-18-10(11)3/h4-6,8,14H,7H2,1-3H3/t8-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 94162195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).