methyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate

C13H14N2O5S — CID 79481288

IUPACmethyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(S(=O)(=O)NCc2ccon2)cc1
InChIInChI=1S/C13H14N2O5S/c1-19-13(16)8-10-2-4-12(5-3-10)21(17,18)14-9-11-6-7-20-15-11/h2-7,14H,8-9H2,1H3
InChIKeyKRTUUFBJVFJBDU-UHFFFAOYSA-N
MW310.33 g/mol
LogP0.87
Rot. Bonds6

About methyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate

methyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate (PubChem CID 79481288) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is methyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate
PubChem CID79481288
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Namemethyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(S(=O)(=O)NCc2ccon2)cc1
InChIInChI=1S/C13H14N2O5S/c1-19-13(16)8-10-2-4-12(5-3-10)21(17,18)14-9-11-6-7-20-15-11/h2-7,14H,8-9H2,1H3
InChIKeyKRTUUFBJVFJBDU-UHFFFAOYSA-N
XLogP0.87
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,2-oxazol-3-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 81178108
4-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81176602
methyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate
CID 79477880
4-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81173742
methyl 2-[4-(3,3-dimethylbutylsulfamoyl)phenyl]acetate
CID 115625364
2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide
CID 81176880
methyl 2-[4-(2-methylsulfanylpropylsulfamoyl)phenyl]acetate
CID 115756345
methyl 2-[4-(ethoxysulfamoyl)phenyl]acetate
CID 64973995
5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 139003553
methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate
CID 115690444
2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477364
methyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate
CID 115625371

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate (CID 79481288) is methyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate is COC(=O)Cc1ccc(S(=O)(=O)NCc2ccon2)cc1.
What is the InChIKey of methyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate?
The InChIKey is KRTUUFBJVFJBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-19-13(16)8-10-2-4-12(5-3-10)21(17,18)14-9-11-6-7-20-15-11/h2-7,14H,8-9H2,1H3.
What are the key properties of methyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate?
methyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate has a molecular weight of 310.33 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate is sourced from PubChem (CID 79481288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).