(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

C21H19FN2O6S — CID 16530508

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCc1ncc(-c2ccccc2)o1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C21H19FN2O6S/c22-18-7-6-16(31(26,27)24-8-10-28-11-9-24)12-17(18)21(25)29-14-20-23-13-19(30-20)15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2
InChIKeyIVKFXJVQTYVMHO-UHFFFAOYSA-N
MW446.46 g/mol
LogP2.86
Rot. Bonds6

About (5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 16530508) has the molecular formula C21H19FN2O6S and a molecular weight of 446.46 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID16530508
Molecular FormulaC21H19FN2O6S
Molecular Weight446.46 g/mol
Exact Mass446.09
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCc1ncc(-c2ccccc2)o1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C21H19FN2O6S/c22-18-7-6-16(31(26,27)24-8-10-28-11-9-24)12-17(18)21(25)29-14-20-23-13-19(30-20)15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2
InChIKeyIVKFXJVQTYVMHO-UHFFFAOYSA-N
XLogP2.86
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976353
(2-phenyl-1,3-thiazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530468
(5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 4559248
phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2346722
(2-cyanophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2652352
(4-aminoquinazolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 55453452
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 43023466
(4-methoxycarbonylphenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 4263507
(2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2568864
[2-(carbamoylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 4218282
[2-(ethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530482
(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate
CID 8509326

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (CID 16530508) is (5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is O=C(OCc1ncc(-c2ccccc2)o1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is IVKFXJVQTYVMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O6S/c22-18-7-6-16(31(26,27)24-8-10-28-11-9-24)12-17(18)21(25)29-14-20-23-13-19(30-20)15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 446.46 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 16530508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).