3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide

C16H22N2O4S — CID 100564276

IUPAC3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCCCc1ccc(OCCNS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C16H22N2O4S/c1-4-5-14-6-8-15(9-7-14)21-11-10-17-23(19,20)16-12(2)18-22-13(16)3/h6-9,17H,4-5,10-11H2,1-3H3
InChIKeyUUIOSDDQNLJAMO-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.60
Rot. Bonds8

About 3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 100564276) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID100564276
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCCCc1ccc(OCCNS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C16H22N2O4S/c1-4-5-14-6-8-15(9-7-14)21-11-10-17-23(19,20)16-12(2)18-22-13(16)3/h6-9,17H,4-5,10-11H2,1-3H3
InChIKeyUUIOSDDQNLJAMO-UHFFFAOYSA-N
XLogP2.60
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-N-[2-(4-propylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110787816
N-[3-(4-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110288279
N-[4-(4-methoxyphenyl)butyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110288844
N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 32937382
N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 7436894
N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3452396
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108571064
N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39666367
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-hexoxybenzohydrazide
CID 8617635
5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2229391
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 55905718

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide (CID 100564276) is 3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide is CCCc1ccc(OCCNS(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of 3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is UUIOSDDQNLJAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-4-5-14-6-8-15(9-7-14)21-11-10-17-23(19,20)16-12(2)18-22-13(16)3/h6-9,17H,4-5,10-11H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 2.60, 8 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-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 100564276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).