5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide

C18H19N3O3S — CID 20936526

IUPAC5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
SMILESCc1cc(-c2ccc(C(C)C)c(S(=O)(=O)Nc3ccccn3)c2)on1
InChIInChI=1S/C18H19N3O3S/c1-12(2)15-8-7-14(16-10-13(3)20-24-16)11-17(15)25(22,23)21-18-6-4-5-9-19-18/h4-12H,1-3H3,(H,19,21)
InChIKeyZMUUAZWXQYPELL-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.97
Rot. Bonds5

About 5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide

5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 20936526) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
PubChem CID20936526
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
SMILESCc1cc(-c2ccc(C(C)C)c(S(=O)(=O)Nc3ccccn3)c2)on1
InChIInChI=1S/C18H19N3O3S/c1-12(2)15-8-7-14(16-10-13(3)20-24-16)11-17(15)25(22,23)21-18-6-4-5-9-19-18/h4-12H,1-3H3,(H,19,21)
InChIKeyZMUUAZWXQYPELL-UHFFFAOYSA-N
XLogP3.97
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-pyridin-2-ylbenzenesulfonamide
CID 20936416
N-(5-chloro-2-pyridinyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 20936462
5-(3-methyl-1,2-oxazol-5-yl)-N-(2-methylphenyl)-2-propan-2-ylbenzenesulfonamide
CID 20936493
N-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide
CID 46335667
N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 46335665
5-(3-methyl-1,2-oxazol-5-yl)-N-pyridin-2-ylthiophene-2-sulfonamide
CID 20936287
N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 20936500
5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 20936463
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 20934908
4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986032
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 20936533
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide
CID 20934958

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide (CID 20936526) is 5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide is Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)Nc3ccccn3)c2)on1.
What is the InChIKey of 5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is ZMUUAZWXQYPELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12(2)15-8-7-14(16-10-13(3)20-24-16)11-17(15)25(22,23)21-18-6-4-5-9-19-18/h4-12H,1-3H3,(H,19,21).
What are the key properties of 5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide?
5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 20936526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).