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

C13H16N2O4S — CID 47310519

IUPACN-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C13H16N2O4S/c1-4-18-12-7-5-6-11(8-12)15-20(16,17)13-9(2)14-19-10(13)3/h5-8,15H,4H2,1-3H3
InChIKeyMZEDLDDKKQYILG-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.49
Rot. Bonds5

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

N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 47310519) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID47310519
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC NameN-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C13H16N2O4S/c1-4-18-12-7-5-6-11(8-12)15-20(16,17)13-9(2)14-19-10(13)3/h5-8,15H,4H2,1-3H3
InChIKeyMZEDLDDKKQYILG-UHFFFAOYSA-N
XLogP2.49
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 28755050
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide
CID 9330058
N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 106913000
2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide
CID 106012185
3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358660
ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoate
CID 7400931
3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-1,2-oxazole-4-sulfonamide
CID 110732544
3,5-dimethyl-N-(6-methylsulfanyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 71878682
N-(3-ethoxyphenyl)-2-hydroxybenzenesulfonamide
CID 81241070
N-(6-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25047869
N-(4-ethylsulfanylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110778642

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 47310519) is N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CCOc1cccc(NS(=O)(=O)c2c(C)noc2C)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is MZEDLDDKKQYILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-4-18-12-7-5-6-11(8-12)15-20(16,17)13-9(2)14-19-10(13)3/h5-8,15H,4H2,1-3H3.
What are the key properties of N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 47310519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).