5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide

C15H20N2O4S — CID 56950423

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(-c2c(C)noc2C)ccc1C
InChIInChI=1S/C15H20N2O4S/c1-10-5-6-13(15-11(2)17-21-12(15)3)9-14(10)22(18,19)16-7-8-20-4/h5-6,9,16H,7-8H2,1-4H3
InChIKeyYEJMUBAWJLSIGV-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.19
Rot. Bonds6

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide (PubChem CID 56950423) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
PubChem CID56950423
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(-c2c(C)noc2C)ccc1C
InChIInChI=1S/C15H20N2O4S/c1-10-5-6-13(15-11(2)17-21-12(15)3)9-14(10)22(18,19)16-7-8-20-4/h5-6,9,16H,7-8H2,1-4H3
InChIKeyYEJMUBAWJLSIGV-UHFFFAOYSA-N
XLogP2.19
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.19
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 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide (CID 56950423) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide is COCCNS(=O)(=O)c1cc(-c2c(C)noc2C)ccc1C.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide?
The InChIKey is YEJMUBAWJLSIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-10-5-6-13(15-11(2)17-21-12(15)3)9-14(10)22(18,19)16-7-8-20-4/h5-6,9,16H,7-8H2,1-4H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide has a molecular weight of 324.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 56950423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).