N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide

C13H14N2O5S — CID 51174485

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide
SMILESCc1cc(NC(=O)COc2ccc(S(C)(=O)=O)cc2)no1
InChIInChI=1S/C13H14N2O5S/c1-9-7-12(15-20-9)14-13(16)8-19-10-3-5-11(6-4-10)21(2,17)18/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyGGAMKNYWCBLWSM-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.40
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide (PubChem CID 51174485) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide
PubChem CID51174485
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide
SMILESCc1cc(NC(=O)COc2ccc(S(C)(=O)=O)cc2)no1
InChIInChI=1S/C13H14N2O5S/c1-9-7-12(15-20-9)14-13(16)8-19-10-3-5-11(6-4-10)21(2,17)18/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyGGAMKNYWCBLWSM-UHFFFAOYSA-N
XLogP1.40
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2107143
2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 51174673
2-(3-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2632943
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-phenoxyacetyl)amino]propanamide
CID 110370363
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2544509
N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 78790672
2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18076736
N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174629
2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 106485131
2-(2,4-dimethoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 19058874
N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 34193972
N-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 47106502

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide (CID 51174485) is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide is Cc1cc(NC(=O)COc2ccc(S(C)(=O)=O)cc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide?
The InChIKey is GGAMKNYWCBLWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-9-7-12(15-20-9)14-13(16)8-19-10-3-5-11(6-4-10)21(2,17)18/h3-7H,8H2,1-2H3,(H,14,15,16).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide has a molecular weight of 310.33 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide is sourced from PubChem (CID 51174485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).