4-ethoxy-2-phenyl-2-(trifluoromethyl)-1,3-oxazol-5-one

C12H10F3NO3 — CID 14363747

IUPAC4-ethoxy-2-phenyl-2-(trifluoromethyl)-1,3-oxazol-5-one
SMILESCCOC1=NC(c2ccccc2)(C(F)(F)F)OC1=O
InChIInChI=1S/C12H10F3NO3/c1-2-18-9-10(17)19-11(16-9,12(13,14)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyWVLLDKLNPOONRF-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.39
Rot. Bonds2

About 4-ethoxy-2-phenyl-2-(trifluoromethyl)-1,3-oxazol-5-one

4-ethoxy-2-phenyl-2-(trifluoromethyl)-1,3-oxazol-5-one (PubChem CID 14363747) has the molecular formula C12H10F3NO3 and a molecular weight of 273.21 g/mol. Its IUPAC name is 4-ethoxy-2-phenyl-2-(trifluoromethyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-ethoxy-2-phenyl-2-(trifluoromethyl)-1,3-oxazol-5-one
PubChem CID14363747
Molecular FormulaC12H10F3NO3
Molecular Weight273.21 g/mol
Exact Mass273.06
IUPAC Name4-ethoxy-2-phenyl-2-(trifluoromethyl)-1,3-oxazol-5-one
SMILESCCOC1=NC(c2ccccc2)(C(F)(F)F)OC1=O
InChIInChI=1S/C12H10F3NO3/c1-2-18-9-10(17)19-11(16-9,12(13,14)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyWVLLDKLNPOONRF-UHFFFAOYSA-N
XLogP2.39
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,2,2-Trifluoro-1-isocyanato-1-phenylethyl) acetate
CID 13023974
2-Phenyl-4-[(propan-2-yl)oxy]-2-(trifluoromethyl)-1,3-oxazol-5(2H)-one
CID 14363748
(2,2,2-Trifluoro-1-isocyanato-1-methoxyethyl)benzene
CID 14066908
2-phenyl-4-propan-2-yloxy-2H-1,3-oxazol-5-one
CID 14363752
4-Methyl-2-phenyl-oxazol-5-one
CID 129803962
[(1S)-2,2,2-trifluoro-1-isocyanato-1-methoxyethyl]benzene
CID 14066909
2-[3-(trifluoromethyl)phenyl]-2H-1,3-oxazol-5-one
CID 70370992
methyl 2-[4-(trifluoromethyl)phenyl]-5H-1,3-oxazole-2-carboxylate
CID 142666305
(1-Ethoxy-2,2,2-trifluoro-1-isocyanatoethyl)benzene
CID 14066911
4-methyl-2-phenyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-5-one
CID 101537598
5-[3-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-2-carboxylic acid
CID 115061650
5-(3-Fluorophenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid
CID 115061652

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-phenyl-2-(trifluoromethyl)-1,3-oxazol-5-one?
The IUPAC name of 4-ethoxy-2-phenyl-2-(trifluoromethyl)-1,3-oxazol-5-one (CID 14363747) is 4-ethoxy-2-phenyl-2-(trifluoromethyl)-1,3-oxazol-5-one.
What is the SMILES notation for 4-ethoxy-2-phenyl-2-(trifluoromethyl)-1,3-oxazol-5-one?
The canonical SMILES for 4-ethoxy-2-phenyl-2-(trifluoromethyl)-1,3-oxazol-5-one is CCOC1=NC(c2ccccc2)(C(F)(F)F)OC1=O.
What is the InChIKey of 4-ethoxy-2-phenyl-2-(trifluoromethyl)-1,3-oxazol-5-one?
The InChIKey is WVLLDKLNPOONRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3/c1-2-18-9-10(17)19-11(16-9,12(13,14)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of 4-ethoxy-2-phenyl-2-(trifluoromethyl)-1,3-oxazol-5-one?
4-ethoxy-2-phenyl-2-(trifluoromethyl)-1,3-oxazol-5-one has a molecular weight of 273.21 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-phenyl-2-(trifluoromethyl)-1,3-oxazol-5-one is sourced from PubChem (CID 14363747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).