[2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate

C19H13F2NO4 — CID 55449429

IUPAC[2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
SMILESO=C(Cc1coc(-c2ccccc2)n1)OCC(=O)c1cc(F)ccc1F
InChIInChI=1S/C19H13F2NO4/c20-13-6-7-16(21)15(8-13)17(23)11-25-18(24)9-14-10-26-19(22-14)12-4-2-1-3-5-12/h1-8,10H,9,11H2
InChIKeyHDVGJEPMCVRKKR-UHFFFAOYSA-N
MW357.31 g/mol
LogP3.59
Rot. Bonds6

About [2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate

[2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate (PubChem CID 55449429) has the molecular formula C19H13F2NO4 and a molecular weight of 357.31 g/mol. Its IUPAC name is [2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Name[2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
PubChem CID55449429
Molecular FormulaC19H13F2NO4
Molecular Weight357.31 g/mol
Exact Mass357.08
IUPAC Name[2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
SMILESO=C(Cc1coc(-c2ccccc2)n1)OCC(=O)c1cc(F)ccc1F
InChIInChI=1S/C19H13F2NO4/c20-13-6-7-16(21)15(8-13)17(23)11-25-18(24)9-14-10-26-19(22-14)12-4-2-1-3-5-12/h1-8,10H,9,11H2
InChIKeyHDVGJEPMCVRKKR-UHFFFAOYSA-N
XLogP3.59
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449308
[2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919575
3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55568894
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449171
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55459622
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34807215
N-(5-fluoro-2-methylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34803562
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449145
N-(3,5-difluorophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34169541
2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 52855097
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55900351

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
The IUPAC name of [2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate (CID 55449429) is [2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for [2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for [2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate is O=C(Cc1coc(-c2ccccc2)n1)OCC(=O)c1cc(F)ccc1F.
What is the InChIKey of [2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
The InChIKey is HDVGJEPMCVRKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO4/c20-13-6-7-16(21)15(8-13)17(23)11-25-18(24)9-14-10-26-19(22-14)12-4-2-1-3-5-12/h1-8,10H,9,11H2.
What are the key properties of [2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
[2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate has a molecular weight of 357.31 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 55449429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).