3,5-dimethyl-N-(2-phenoxyethyl)-1,2-oxazole-4-sulfonamide

C13H16N2O4S — CID 5092334

IUPAC3,5-dimethyl-N-(2-phenoxyethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCOc1ccccc1
InChIInChI=1S/C13H16N2O4S/c1-10-13(11(2)19-15-10)20(16,17)14-8-9-18-12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3
InChIKeyOYLRKIFDGPBXTR-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.65
Rot. Bonds6

About 3,5-dimethyl-N-(2-phenoxyethyl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(2-phenoxyethyl)-1,2-oxazole-4-sulfonamide (PubChem CID 5092334) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-phenoxyethyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-phenoxyethyl)-1,2-oxazole-4-sulfonamide
PubChem CID5092334
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name3,5-dimethyl-N-(2-phenoxyethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCOc1ccccc1
InChIInChI=1S/C13H16N2O4S/c1-10-13(11(2)19-15-10)20(16,17)14-8-9-18-12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3
InChIKeyOYLRKIFDGPBXTR-UHFFFAOYSA-N
XLogP1.65
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-phenoxyethyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2-phenoxyethyl)-1,2-oxazole-4-sulfonamide (CID 5092334) is 3,5-dimethyl-N-(2-phenoxyethyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-phenoxyethyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2-phenoxyethyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCOc1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-(2-phenoxyethyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is OYLRKIFDGPBXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-10-13(11(2)19-15-10)20(16,17)14-8-9-18-12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(2-phenoxyethyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(2-phenoxyethyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-phenoxyethyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 5092334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).