methyl 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]benzoate

C15H15NO5S — CID 8852225

IUPACmethyl 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)Cn2c(C)csc2=O)cc1
InChIInChI=1S/C15H15NO5S/c1-10-9-22-15(19)16(10)7-13(17)21-8-11-3-5-12(6-4-11)14(18)20-2/h3-6,9H,7-8H2,1-2H3
InChIKeySYJPSSYHFFHZQK-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.75
Rot. Bonds5

About methyl 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]benzoate

methyl 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]benzoate (PubChem CID 8852225) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is methyl 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]benzoate
PubChem CID8852225
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Namemethyl 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)Cn2c(C)csc2=O)cc1
InChIInChI=1S/C15H15NO5S/c1-10-9-22-15(19)16(10)7-13(17)21-8-11-3-5-12(6-4-11)14(18)20-2/h3-6,9H,7-8H2,1-2H3
InChIKeySYJPSSYHFFHZQK-UHFFFAOYSA-N
XLogP1.75
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]benzoate?
The IUPAC name of methyl 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]benzoate (CID 8852225) is methyl 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]benzoate?
The canonical SMILES for methyl 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]benzoate is COC(=O)c1ccc(COC(=O)Cn2c(C)csc2=O)cc1.
What is the InChIKey of methyl 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]benzoate?
The InChIKey is SYJPSSYHFFHZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-10-9-22-15(19)16(10)7-13(17)21-8-11-3-5-12(6-4-11)14(18)20-2/h3-6,9H,7-8H2,1-2H3.
What are the key properties of methyl 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]benzoate?
methyl 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]benzoate has a molecular weight of 321.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]benzoate is sourced from PubChem (CID 8852225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).