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

C13H12F3NO3 — CID 15634555

IUPACethyl 2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1N=C(c2ccccc2)OC1C(F)(F)F
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/h3-7,9-10H,2H2,1H3
InChIKeyOBHTUWZHQZUAEN-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.33
Rot. Bonds3

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

ethyl 2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 15634555) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is ethyl 2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID15634555
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC Nameethyl 2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1N=C(c2ccccc2)OC1C(F)(F)F
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/h3-7,9-10H,2H2,1H3
InChIKeyOBHTUWZHQZUAEN-UHFFFAOYSA-N
XLogP2.33
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 15634555) is ethyl 2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylate is CCOC(=O)C1N=C(c2ccccc2)OC1C(F)(F)F.
What is the InChIKey of ethyl 2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is OBHTUWZHQZUAEN-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/h3-7,9-10H,2H2,1H3.
What are the key properties of ethyl 2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
ethyl 2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 287.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 15634555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).