(5-methyl-1,2-oxazol-3-yl)methyl 3-(dimethylsulfamoyl)benzoate

C14H16N2O5S — CID 8865947

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 3-(dimethylsulfamoyl)benzoate
SMILESCc1cc(COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)no1
InChIInChI=1S/C14H16N2O5S/c1-10-7-12(15-21-10)9-20-14(17)11-5-4-6-13(8-11)22(18,19)16(2)3/h4-8H,9H2,1-3H3
InChIKeyAAGCEBCPVWZJTE-UHFFFAOYSA-N
MW324.36 g/mol
LogP1.59
Rot. Bonds5

About (5-methyl-1,2-oxazol-3-yl)methyl 3-(dimethylsulfamoyl)benzoate

(5-methyl-1,2-oxazol-3-yl)methyl 3-(dimethylsulfamoyl)benzoate (PubChem CID 8865947) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 3-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 3-(dimethylsulfamoyl)benzoate
PubChem CID8865947
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 3-(dimethylsulfamoyl)benzoate
SMILESCc1cc(COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)no1
InChIInChI=1S/C14H16N2O5S/c1-10-7-12(15-21-10)9-20-14(17)11-5-4-6-13(8-11)22(18,19)16(2)3/h4-8H,9H2,1-3H3
InChIKeyAAGCEBCPVWZJTE-UHFFFAOYSA-N
XLogP1.59
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)methyl 3-(benzenesulfonamido)benzoate
CID 8015603
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 16869504
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(dimethylsulfamoyl)benzoate
CID 27876160
(5-methyl-1,2-oxazol-3-yl)methyl 3-(ethoxycarbonylamino)benzoate
CID 17418197
(5-methyl-1,2-oxazol-3-yl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8951854
(5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 28577191
(3-cyanophenyl)methyl 3-(dimethylsulfamoyl)benzoate
CID 7960623
(5-methyl-1,2-oxazol-3-yl)methyl 3-fluoro-4-methylbenzoate
CID 52515134
[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960621
(5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 8937003
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 3-(dimethylsulfamoyl)benzoate
CID 7960565
[2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960641

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 3-(dimethylsulfamoyl)benzoate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 3-(dimethylsulfamoyl)benzoate (CID 8865947) is (5-methyl-1,2-oxazol-3-yl)methyl 3-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 3-(dimethylsulfamoyl)benzoate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 3-(dimethylsulfamoyl)benzoate is Cc1cc(COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 3-(dimethylsulfamoyl)benzoate?
The InChIKey is AAGCEBCPVWZJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S/c1-10-7-12(15-21-10)9-20-14(17)11-5-4-6-13(8-11)22(18,19)16(2)3/h4-8H,9H2,1-3H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 3-(dimethylsulfamoyl)benzoate?
(5-methyl-1,2-oxazol-3-yl)methyl 3-(dimethylsulfamoyl)benzoate has a molecular weight of 324.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl 3-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 8865947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).