2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate

C18H12F3NO3 — CID 60616964

IUPAC2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
SMILESO=C(OCC(F)(F)F)c1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H12F3NO3/c19-18(20,21)11-24-17(23)14-9-5-4-8-13(14)16-22-10-15(25-16)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyYZSGDRFTJIHQKD-UHFFFAOYSA-N
MW347.29 g/mol
LogP4.73
Rot. Bonds4

About 2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate

2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate (PubChem CID 60616964) has the molecular formula C18H12F3NO3 and a molecular weight of 347.29 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
PubChem CID60616964
Molecular FormulaC18H12F3NO3
Molecular Weight347.29 g/mol
Exact Mass347.08
IUPAC Name2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
SMILESO=C(OCC(F)(F)F)c1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H12F3NO3/c19-18(20,21)11-24-17(23)14-9-5-4-8-13(14)16-22-10-15(25-16)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyYZSGDRFTJIHQKD-UHFFFAOYSA-N
XLogP4.73
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 22764943
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126631
cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510359
(4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 8003593
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126503
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126519
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 100503714
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 38167689
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 35486402
2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 47009933
[2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510395

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
The IUPAC name of 2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate (CID 60616964) is 2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate is O=C(OCC(F)(F)F)c1ccccc1-c1ncc(-c2ccccc2)o1.
What is the InChIKey of 2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
The InChIKey is YZSGDRFTJIHQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO3/c19-18(20,21)11-24-17(23)14-9-5-4-8-13(14)16-22-10-15(25-16)12-6-2-1-3-7-12/h1-10H,11H2.
What are the key properties of 2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate has a molecular weight of 347.29 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate is sourced from PubChem (CID 60616964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).