phenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate

C20H16FNO4 — CID 42490600

IUPACphenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)OCC(=O)c1ccccc1
InChIInChI=1S/C20H16FNO4/c21-16-8-6-15(7-9-16)18-12-22-19(26-18)10-11-20(24)25-13-17(23)14-4-2-1-3-5-14/h1-9,12H,10-11,13H2
InChIKeyNHPOODCFSJIQFK-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.84
Rot. Bonds7

About phenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate

phenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 42490600) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is phenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Namephenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID42490600
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Namephenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)OCC(=O)c1ccccc1
InChIInChI=1S/C20H16FNO4/c21-16-8-6-15(7-9-16)18-12-22-19(26-18)10-11-20(24)25-13-17(23)14-4-2-1-3-5-14/h1-9,12H,10-11,13H2
InChIKeyNHPOODCFSJIQFK-UHFFFAOYSA-N
XLogP3.84
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 7967630
[2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490358
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490524
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490887
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55509021
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 46695183
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42491257
(2-chloro-4-fluorophenyl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490902
[2-(N-methylanilino)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16579828
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 3-phenylmethoxypropanoate
CID 60541333
phenacyl 3-(5-phenylfuran-2-yl)propanoate
CID 40689141
[2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 42295659

Frequently Asked Questions

What is the IUPAC name of phenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of phenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate (CID 42490600) is phenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for phenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for phenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate is O=C(CCc1ncc(-c2ccc(F)cc2)o1)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is NHPOODCFSJIQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4/c21-16-8-6-15(7-9-16)18-12-22-19(26-18)10-11-20(24)25-13-17(23)14-4-2-1-3-5-14/h1-9,12H,10-11,13H2.
What are the key properties of phenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
phenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 353.35 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 42490600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).