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

C23H17FN2O5S — CID 16595735

IUPAC[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)benzoate
SMILESO=C(OCc1ncc(-c2ccc(F)cc2)o1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H17FN2O5S/c24-18-10-6-16(7-11-18)21-14-25-22(31-21)15-30-23(27)17-8-12-20(13-9-17)32(28,29)26-19-4-2-1-3-5-19/h1-14,26H,15H2
InChIKeyTUJNVTBNDHINPQ-UHFFFAOYSA-N
MW452.46 g/mol
LogP4.64
Rot. Bonds7

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

[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)benzoate (PubChem CID 16595735) has the molecular formula C23H17FN2O5S and a molecular weight of 452.46 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)benzoate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)benzoate
PubChem CID16595735
Molecular FormulaC23H17FN2O5S
Molecular Weight452.46 g/mol
Exact Mass452.08
IUPAC Name[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)benzoate
SMILESO=C(OCc1ncc(-c2ccc(F)cc2)o1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H17FN2O5S/c24-18-10-6-16(7-11-18)21-14-25-22(31-21)15-30-23(27)17-8-12-20(13-9-17)32(28,29)26-19-4-2-1-3-5-19/h1-14,26H,15H2
InChIKeyTUJNVTBNDHINPQ-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

(5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 4559248
2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate
CID 19258628
4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzamide
CID 19258755
(5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 7967630
(5-phenyl-1,3-oxazol-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 16532904
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 35519072
(6-chloro-3-pyridinyl)methyl 4-(phenylsulfamoyl)benzoate
CID 52559434
(2,3-difluorophenyl)methyl 4-(phenylsulfamoyl)benzoate
CID 18267958
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55912574
(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
CID 7790163
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 3-phenylmethoxypropanoate
CID 60541333

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)benzoate?
The IUPAC name of [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)benzoate (CID 16595735) is [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)benzoate.
What is the SMILES notation for [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)benzoate?
The canonical SMILES for [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)benzoate is O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)benzoate?
The InChIKey is TUJNVTBNDHINPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O5S/c24-18-10-6-16(7-11-18)21-14-25-22(31-21)15-30-23(27)17-8-12-20(13-9-17)32(28,29)26-19-4-2-1-3-5-19/h1-14,26H,15H2.
What are the key properties of [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)benzoate?
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)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 [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)benzoate is sourced from PubChem (CID 16595735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).