[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate

C15H16ClN3O6S — CID 4844463

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
SMILESCc1cc(NC(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)no1
InChIInChI=1S/C15H16ClN3O6S/c1-9-6-13(18-25-9)17-14(20)8-24-15(21)11-7-10(4-5-12(11)16)26(22,23)19(2)3/h4-7H,8H2,1-3H3,(H,17,18,20)
InChIKeyXIBQTLCDLSDGEO-UHFFFAOYSA-N
MW401.83 g/mol
LogP1.68
Rot. Bonds6

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate (PubChem CID 4844463) has the molecular formula C15H16ClN3O6S and a molecular weight of 401.83 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
PubChem CID4844463
Molecular FormulaC15H16ClN3O6S
Molecular Weight401.83 g/mol
Exact Mass401.04
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
SMILESCc1cc(NC(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)no1
InChIInChI=1S/C15H16ClN3O6S/c1-9-6-13(18-25-9)17-14(20)8-24-15(21)11-7-10(4-5-12(11)16)26(22,23)19(2)3/h4-7H,8H2,1-3H3,(H,17,18,20)
InChIKeyXIBQTLCDLSDGEO-UHFFFAOYSA-N
XLogP1.68
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate (CID 4844463) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate is Cc1cc(NC(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
The InChIKey is XIBQTLCDLSDGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O6S/c1-9-6-13(18-25-9)17-14(20)8-24-15(21)11-7-10(4-5-12(11)16)26(22,23)19(2)3/h4-7H,8H2,1-3H3,(H,17,18,20).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate has a molecular weight of 401.83 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 4844463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).