[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-(diethylsulfamoyl)benzoate

C21H21FN2O5S — CID 16869751

IUPAC[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccc(F)cc3)on2)cc1
InChIInChI=1S/C21H21FN2O5S/c1-3-24(4-2)30(26,27)19-11-7-16(8-12-19)21(25)28-14-18-13-20(29-23-18)15-5-9-17(22)10-6-15/h5-13H,3-4,14H2,1-2H3
InChIKeyQMQZIDGRXKULDR-UHFFFAOYSA-N
MW432.47 g/mol
LogP3.87
Rot. Bonds8

About [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-(diethylsulfamoyl)benzoate

[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-(diethylsulfamoyl)benzoate (PubChem CID 16869751) has the molecular formula C21H21FN2O5S and a molecular weight of 432.47 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-(diethylsulfamoyl)benzoate
PubChem CID16869751
Molecular FormulaC21H21FN2O5S
Molecular Weight432.47 g/mol
Exact Mass432.12
IUPAC Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccc(F)cc3)on2)cc1
InChIInChI=1S/C21H21FN2O5S/c1-3-24(4-2)30(26,27)19-11-7-16(8-12-19)21(25)28-14-18-13-20(29-23-18)15-5-9-17(22)10-6-15/h5-13H,3-4,14H2,1-2H3
InChIKeyQMQZIDGRXKULDR-UHFFFAOYSA-N
XLogP3.87
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-(diethylsulfamoyl)benzoate?
The IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-(diethylsulfamoyl)benzoate (CID 16869751) is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-(diethylsulfamoyl)benzoate?
The canonical SMILES for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccc(F)cc3)on2)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-(diethylsulfamoyl)benzoate?
The InChIKey is QMQZIDGRXKULDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O5S/c1-3-24(4-2)30(26,27)19-11-7-16(8-12-19)21(25)28-14-18-13-20(29-23-18)15-5-9-17(22)10-6-15/h5-13H,3-4,14H2,1-2H3.
What are the key properties of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-(diethylsulfamoyl)benzoate?
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-(diethylsulfamoyl)benzoate has a molecular weight of 432.47 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 16869751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).