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

C18H16N2O5S — CID 8015603

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 3-(benzenesulfonamido)benzoate
SMILESCc1cc(COC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)no1
InChIInChI=1S/C18H16N2O5S/c1-13-10-16(19-25-13)12-24-18(21)14-6-5-7-15(11-14)20-26(22,23)17-8-3-2-4-9-17/h2-11,20H,12H2,1H3
InChIKeyOFMVFWHUHASDJX-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.14
Rot. Bonds6

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

(5-methyl-1,2-oxazol-3-yl)methyl 3-(benzenesulfonamido)benzoate (PubChem CID 8015603) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 3-(benzenesulfonamido)benzoate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 3-(benzenesulfonamido)benzoate
PubChem CID8015603
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 3-(benzenesulfonamido)benzoate
SMILESCc1cc(COC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)no1
InChIInChI=1S/C18H16N2O5S/c1-13-10-16(19-25-13)12-24-18(21)14-6-5-7-15(11-14)20-26(22,23)17-8-3-2-4-9-17/h2-11,20H,12H2,1H3
InChIKeyOFMVFWHUHASDJX-UHFFFAOYSA-N
XLogP3.14
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)methyl 3-(ethoxycarbonylamino)benzoate
CID 17418197
(5-methyl-1,2-oxazol-3-yl)methyl 3-(dimethylsulfamoyl)benzoate
CID 8865947
(2-amino-2-oxoethyl) 3-(benzenesulfonamido)benzoate
CID 7249323
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
2-(2-methylphenoxy)ethyl 3-(benzenesulfonamido)benzoate
CID 16565149
(2-phenyl-1,3-thiazol-4-yl)methyl 3-[(4-methylphenyl)sulfamoyl]benzoate
CID 25039398
2-(3-methylphenoxy)ethyl 3-(benzenesulfonamido)benzoate
CID 7571434
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate
CID 7247748
ethyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 19683974
(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 4-piperidin-1-ylsulfonylbenzoate
CID 8937003
ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 8823779

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 3-(benzenesulfonamido)benzoate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 3-(benzenesulfonamido)benzoate (CID 8015603) is (5-methyl-1,2-oxazol-3-yl)methyl 3-(benzenesulfonamido)benzoate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 3-(benzenesulfonamido)benzoate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 3-(benzenesulfonamido)benzoate is Cc1cc(COC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 3-(benzenesulfonamido)benzoate?
The InChIKey is OFMVFWHUHASDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-13-10-16(19-25-13)12-24-18(21)14-6-5-7-15(11-14)20-26(22,23)17-8-3-2-4-9-17/h2-11,20H,12H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 3-(benzenesulfonamido)benzoate?
(5-methyl-1,2-oxazol-3-yl)methyl 3-(benzenesulfonamido)benzoate has a molecular weight of 372.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 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-(benzenesulfonamido)benzoate is sourced from PubChem (CID 8015603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).