ethyl 2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole-4-carboxylate

C13H12F3NO3 — CID 134859164

IUPACethyl 2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1=C(C(F)(F)F)OC(c2ccccc2)N1
InChIInChI=1S/C13H12F3NO3/c1-2-19-12(18)9-10(13(14,15)16)20-11(17-9)8-6-4-3-5-7-8/h3-7,11,17H,2H2,1H3
InChIKeyORJOJKNJYCXIOC-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.64
Rot. Bonds3

About ethyl 2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole-4-carboxylate

ethyl 2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 134859164) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is ethyl 2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole-4-carboxylate
PubChem CID134859164
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC Nameethyl 2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1=C(C(F)(F)F)OC(c2ccccc2)N1
InChIInChI=1S/C13H12F3NO3/c1-2-19-12(18)9-10(13(14,15)16)20-11(17-9)8-6-4-3-5-7-8/h3-7,11,17H,2H2,1H3
InChIKeyORJOJKNJYCXIOC-UHFFFAOYSA-N
XLogP2.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(2-fluorophenyl)-1,3-oxazolidine-4-carboxylate
CID 169422824
(3S)-3-phenyl-5-(trifluoromethyl)-3,4-dihydro-2H-1,4-oxazepin-7-one
CID 102287564
methyl 3-methyl-2,5-diphenyl-2H-1,3-oxazole-4-carboxylate
CID 12523561
2-Phenyloxazolidin-5-one
CID 11252178
2-[3-(Trifluoromethyl)phenyl]-1,3-oxazolidin-5-one
CID 19845331
Ethyl 5-[(4-fluorophenyl)methyl]-2,3-dihydro-1,3-oxazole-4-carboxylate
CID 68214013
2-(2,4-Difluorophenyl)-6-methoxy-2,3-dihydro-1,3-benzoxazole-4,7-dione
CID 68658236
methyl 2-(4-fluorophenyl)-3-hydroxy-5-methyl-2H-1,3-oxazole-4-carboxylate
CID 69806904
2-phenyl-3-(trifluoromethyl)-2H-1,3-oxazole-4-carboxylic acid
CID 70968127
methyl 2-[[(1S)-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]amino]acetate
CID 88477558
2-(4-Fluorophenyl)-4,5-dimethyl-2,3-dihydro-1,3-oxazole
CID 142244707
Methyl 2-(4-fluorophenyl)-1,3-oxazolidine-4-carboxylate
CID 142930063

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole-4-carboxylate (CID 134859164) is ethyl 2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole-4-carboxylate is CCOC(=O)C1=C(C(F)(F)F)OC(c2ccccc2)N1.
What is the InChIKey of ethyl 2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is ORJOJKNJYCXIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3/c1-2-19-12(18)9-10(13(14,15)16)20-11(17-9)8-6-4-3-5-7-8/h3-7,11,17H,2H2,1H3.
What are the key properties of ethyl 2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole-4-carboxylate?
ethyl 2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 287.24 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 134859164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).