(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate

C18H18N2O6S — CID 2115625

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCc1noc(C)c1COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H18N2O6S/c1-12-17(13(2)26-20-12)11-25-18(21)14-5-7-16(8-6-14)27(22,23)19-10-15-4-3-9-24-15/h3-9,19H,10-11H2,1-2H3
InChIKeyKLFYXOBBODCPSZ-UHFFFAOYSA-N
MW390.42 g/mol
LogP2.72
Rot. Bonds7

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 2115625) has the molecular formula C18H18N2O6S and a molecular weight of 390.42 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID2115625
Molecular FormulaC18H18N2O6S
Molecular Weight390.42 g/mol
Exact Mass390.09
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCc1noc(C)c1COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H18N2O6S/c1-12-17(13(2)26-20-12)11-25-18(21)14-5-7-16(8-6-14)27(22,23)19-10-15-4-3-9-24-15/h3-9,19H,10-11H2,1-2H3
InChIKeyKLFYXOBBODCPSZ-UHFFFAOYSA-N
XLogP2.72
TPSA111.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate with MolForge

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Related Compounds

benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 8615701
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 43025997
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 53054353
[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550208
(1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3970570
(3-cyanophenyl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765848
3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 45353023
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550017
(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2402173
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526912

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 2115625) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate is Cc1noc(C)c1COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is KLFYXOBBODCPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6S/c1-12-17(13(2)26-20-12)11-25-18(21)14-5-7-16(8-6-14)27(22,23)19-10-15-4-3-9-24-15/h3-9,19H,10-11H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 390.42 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 2115625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).