(2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate

C23H17FN2O5S — CID 16605196

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate
SMILESO=C(OCc1coc(-c2ccccc2)n1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H17FN2O5S/c24-17-10-12-19(13-11-17)32(28,29)26-21-9-5-4-8-20(21)23(27)31-15-18-14-30-22(25-18)16-6-2-1-3-7-16/h1-14,26H,15H2
InChIKeyPKFDDAYWULKERV-UHFFFAOYSA-N
MW452.46 g/mol
LogP4.64
Rot. Bonds7

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

(2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate (PubChem CID 16605196) has the molecular formula C23H17FN2O5S and a molecular weight of 452.46 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate
PubChem CID16605196
Molecular FormulaC23H17FN2O5S
Molecular Weight452.46 g/mol
Exact Mass452.08
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate
SMILESO=C(OCc1coc(-c2ccccc2)n1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H17FN2O5S/c24-17-10-12-19(13-11-17)32(28,29)26-21-9-5-4-8-20(21)23(27)31-15-18-14-30-22(25-18)16-6-2-1-3-7-16/h1-14,26H,15H2
InChIKeyPKFDDAYWULKERV-UHFFFAOYSA-N
XLogP4.64
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 18085109
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate
CID 18085090
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 16617005
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate
CID 55543565
(2-phenyl-1,3-oxazol-4-yl)methyl 7-fluoro-2-methylquinoline-3-carboxylate
CID 36757589
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 2553219
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate
CID 32688963
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 18197445
(2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-(diethylsulfamoyl)benzoate
CID 31710711
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate
CID 55547095
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate
CID 32654742
(2-phenyl-1,3-oxazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 16605256

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate (CID 16605196) is (2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate is O=C(OCc1coc(-c2ccccc2)n1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate?
The InChIKey is PKFDDAYWULKERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O5S/c24-17-10-12-19(13-11-17)32(28,29)26-21-9-5-4-8-20(21)23(27)31-15-18-14-30-22(25-18)16-6-2-1-3-7-16/h1-14,26H,15H2.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate?
(2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate has a molecular weight of 452.46 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 16605196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).