[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-morpholin-4-ylsulfonylbenzoate

C21H19FN2O6S — CID 27370210

IUPAC[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCc1cc(-c2ccccc2F)on1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H19FN2O6S/c22-19-4-2-1-3-18(19)20-13-16(23-30-20)14-29-21(25)15-5-7-17(8-6-15)31(26,27)24-9-11-28-12-10-24/h1-8,13H,9-12,14H2
InChIKeyFPSIQIRIKGMREU-UHFFFAOYSA-N
MW446.46 g/mol
LogP2.86
Rot. Bonds6

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

[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-morpholin-4-ylsulfonylbenzoate (PubChem CID 27370210) has the molecular formula C21H19FN2O6S and a molecular weight of 446.46 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-morpholin-4-ylsulfonylbenzoate
PubChem CID27370210
Molecular FormulaC21H19FN2O6S
Molecular Weight446.46 g/mol
Exact Mass446.09
IUPAC Name[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCc1cc(-c2ccccc2F)on1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H19FN2O6S/c22-19-4-2-1-3-18(19)20-13-16(23-30-20)14-29-21(25)15-5-7-17(8-6-15)31(26,27)24-9-11-28-12-10-24/h1-8,13H,9-12,14H2
InChIKeyFPSIQIRIKGMREU-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-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 27548963
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 16870213
(5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 8937003
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-ylsulfonylbenzoate
CID 2087848
(2-phenyl-1,3-thiazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530468
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate
CID 7868503
[2-(4-fluorophenyl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2352525
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527565
(3-fluorophenyl) 4-morpholin-4-ylsulfonylbenzoate
CID 8779251
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-morpholin-4-ylsulfonylbenzoate
CID 16521683
(5-methyl-1,2-oxazol-3-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate
CID 7644571
(2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2568864

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-morpholin-4-ylsulfonylbenzoate (CID 27370210) is [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-morpholin-4-ylsulfonylbenzoate is O=C(OCc1cc(-c2ccccc2F)on1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-morpholin-4-ylsulfonylbenzoate?
The InChIKey is FPSIQIRIKGMREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O6S/c22-19-4-2-1-3-18(19)20-13-16(23-30-20)14-29-21(25)15-5-7-17(8-6-15)31(26,27)24-9-11-28-12-10-24/h1-8,13H,9-12,14H2.
What are the key properties of [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-morpholin-4-ylsulfonylbenzoate?
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-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-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 27370210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).