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

C20H17FN2O5S — CID 38487261

IUPAC(3-phenyl-1,2-oxazol-5-yl)methyl 3-(cyclopropylsulfamoyl)-4-fluorobenzoate
SMILESO=C(OCc1cc(-c2ccccc2)no1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C20H17FN2O5S/c21-17-9-6-14(10-19(17)29(25,26)23-15-7-8-15)20(24)27-12-16-11-18(22-28-16)13-4-2-1-3-5-13/h1-6,9-11,15,23H,7-8,12H2
InChIKeyZYQDFMUTRKJBAM-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.28
Rot. Bonds7

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

(3-phenyl-1,2-oxazol-5-yl)methyl 3-(cyclopropylsulfamoyl)-4-fluorobenzoate (PubChem CID 38487261) has the molecular formula C20H17FN2O5S and a molecular weight of 416.43 g/mol. Its IUPAC name is (3-phenyl-1,2-oxazol-5-yl)methyl 3-(cyclopropylsulfamoyl)-4-fluorobenzoate.

Molecular Properties

Compound Name(3-phenyl-1,2-oxazol-5-yl)methyl 3-(cyclopropylsulfamoyl)-4-fluorobenzoate
PubChem CID38487261
Molecular FormulaC20H17FN2O5S
Molecular Weight416.43 g/mol
Exact Mass416.08
IUPAC Name(3-phenyl-1,2-oxazol-5-yl)methyl 3-(cyclopropylsulfamoyl)-4-fluorobenzoate
SMILESO=C(OCc1cc(-c2ccccc2)no1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C20H17FN2O5S/c21-17-9-6-14(10-19(17)29(25,26)23-15-7-8-15)20(24)27-12-16-11-18(22-28-16)13-4-2-1-3-5-13/h1-6,9-11,15,23H,7-8,12H2
InChIKeyZYQDFMUTRKJBAM-UHFFFAOYSA-N
XLogP3.28
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl 3-(cyclopropylsulfamoyl)-4-fluorobenzoate?
The IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl 3-(cyclopropylsulfamoyl)-4-fluorobenzoate (CID 38487261) is (3-phenyl-1,2-oxazol-5-yl)methyl 3-(cyclopropylsulfamoyl)-4-fluorobenzoate.
What is the SMILES notation for (3-phenyl-1,2-oxazol-5-yl)methyl 3-(cyclopropylsulfamoyl)-4-fluorobenzoate?
The canonical SMILES for (3-phenyl-1,2-oxazol-5-yl)methyl 3-(cyclopropylsulfamoyl)-4-fluorobenzoate is O=C(OCc1cc(-c2ccccc2)no1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of (3-phenyl-1,2-oxazol-5-yl)methyl 3-(cyclopropylsulfamoyl)-4-fluorobenzoate?
The InChIKey is ZYQDFMUTRKJBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O5S/c21-17-9-6-14(10-19(17)29(25,26)23-15-7-8-15)20(24)27-12-16-11-18(22-28-16)13-4-2-1-3-5-13/h1-6,9-11,15,23H,7-8,12H2.
What are the key properties of (3-phenyl-1,2-oxazol-5-yl)methyl 3-(cyclopropylsulfamoyl)-4-fluorobenzoate?
(3-phenyl-1,2-oxazol-5-yl)methyl 3-(cyclopropylsulfamoyl)-4-fluorobenzoate has a molecular weight of 416.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2-oxazol-5-yl)methyl 3-(cyclopropylsulfamoyl)-4-fluorobenzoate is sourced from PubChem (CID 38487261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).