ethyl 4-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate

C13H10F3NO3 — CID 138974346

IUPACethyl 4-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1ocnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H10F3NO3/c1-2-19-12(18)11-10(17-7-20-11)8-3-5-9(6-4-8)13(14,15)16/h3-7H,2H2,1H3
InChIKeyURAYWZKLZWIVMJ-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.54
Rot. Bonds3

About ethyl 4-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate

ethyl 4-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate (PubChem CID 138974346) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is ethyl 4-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate
PubChem CID138974346
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Nameethyl 4-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1ocnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H10F3NO3/c1-2-19-12(18)11-10(17-7-20-11)8-3-5-9(6-4-8)13(14,15)16/h3-7H,2H2,1H3
InChIKeyURAYWZKLZWIVMJ-UHFFFAOYSA-N
XLogP3.54
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate (CID 138974346) is ethyl 4-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate is CCOC(=O)c1ocnc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl 4-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate?
The InChIKey is URAYWZKLZWIVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c1-2-19-12(18)11-10(17-7-20-11)8-3-5-9(6-4-8)13(14,15)16/h3-7H,2H2,1H3.
What are the key properties of ethyl 4-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate?
ethyl 4-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate has a molecular weight of 285.22 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 138974346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).