2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetamide

C11H19N3O4S — CID 38879254

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetamide
SMILESCc1noc(C)c1S(=O)(=O)N(CC(N)=O)CC(C)C
InChIInChI=1S/C11H19N3O4S/c1-7(2)5-14(6-10(12)15)19(16,17)11-8(3)13-18-9(11)4/h7H,5-6H2,1-4H3,(H2,12,15)
InChIKeyBJKPUBXPJAXHGU-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.42
Rot. Bonds6

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetamide (PubChem CID 38879254) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetamide
PubChem CID38879254
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetamide
SMILESCc1noc(C)c1S(=O)(=O)N(CC(N)=O)CC(C)C
InChIInChI=1S/C11H19N3O4S/c1-7(2)5-14(6-10(12)15)19(16,17)11-8(3)13-18-9(11)4/h7H,5-6H2,1-4H3,(H2,12,15)
InChIKeyBJKPUBXPJAXHGU-UHFFFAOYSA-N
XLogP0.42
TPSA106.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetamide (CID 38879254) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetamide is Cc1noc(C)c1S(=O)(=O)N(CC(N)=O)CC(C)C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetamide?
The InChIKey is BJKPUBXPJAXHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-7(2)5-14(6-10(12)15)19(16,17)11-8(3)13-18-9(11)4/h7H,5-6H2,1-4H3,(H2,12,15).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetamide has a molecular weight of 289.36 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 38879254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).