(3-methyl-1,2-oxazol-5-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate

C16H19FN2O5S — CID 18098493

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(C)no2)ccc1F
InChIInChI=1S/C16H19FN2O5S/c1-4-19(5-2)25(21,22)15-9-12(6-7-14(15)17)16(20)23-10-13-8-11(3)18-24-13/h6-9H,4-5,10H2,1-3H3
InChIKeyAAGKPVALEPNPQJ-UHFFFAOYSA-N
MW370.40 g/mol
LogP2.51
Rot. Bonds7

About (3-methyl-1,2-oxazol-5-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate

(3-methyl-1,2-oxazol-5-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate (PubChem CID 18098493) has the molecular formula C16H19FN2O5S and a molecular weight of 370.40 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate
PubChem CID18098493
Molecular FormulaC16H19FN2O5S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(C)no2)ccc1F
InChIInChI=1S/C16H19FN2O5S/c1-4-19(5-2)25(21,22)15-9-12(6-7-14(15)17)16(20)23-10-13-8-11(3)18-24-13/h6-9H,4-5,10H2,1-3H3
InChIKeyAAGKPVALEPNPQJ-UHFFFAOYSA-N
XLogP2.51
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate (CID 18098493) is (3-methyl-1,2-oxazol-5-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate is CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(C)no2)ccc1F.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate?
The InChIKey is AAGKPVALEPNPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O5S/c1-4-19(5-2)25(21,22)15-9-12(6-7-14(15)17)16(20)23-10-13-8-11(3)18-24-13/h6-9H,4-5,10H2,1-3H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate?
(3-methyl-1,2-oxazol-5-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate has a molecular weight of 370.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate is sourced from PubChem (CID 18098493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).