ethyl 4-hydroxy-2-(2-phenylethenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate

C15H14F3NO4 — CID 67293584

IUPACethyl 4-hydroxy-2-(2-phenylethenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)C1OC(C=Cc2ccccc2)=NC1(O)C(F)(F)F
InChIInChI=1S/C15H14F3NO4/c1-2-22-13(20)12-14(21,15(16,17)18)19-11(23-12)9-8-10-6-4-3-5-7-10/h3-9,12,21H,2H2,1H3
InChIKeyQUPNTMWITRLHPZ-UHFFFAOYSA-N
MW329.27 g/mol
LogP2.31
Rot. Bonds4

About ethyl 4-hydroxy-2-(2-phenylethenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate

ethyl 4-hydroxy-2-(2-phenylethenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate (PubChem CID 67293584) has the molecular formula C15H14F3NO4 and a molecular weight of 329.27 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-(2-phenylethenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-(2-phenylethenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate
PubChem CID67293584
Molecular FormulaC15H14F3NO4
Molecular Weight329.27 g/mol
Exact Mass329.09
IUPAC Nameethyl 4-hydroxy-2-(2-phenylethenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)C1OC(C=Cc2ccccc2)=NC1(O)C(F)(F)F
InChIInChI=1S/C15H14F3NO4/c1-2-22-13(20)12-14(21,15(16,17)18)19-11(23-12)9-8-10-6-4-3-5-7-10/h3-9,12,21H,2H2,1H3
InChIKeyQUPNTMWITRLHPZ-UHFFFAOYSA-N
XLogP2.31
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-(2-phenylethenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-(2-phenylethenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate (CID 67293584) is ethyl 4-hydroxy-2-(2-phenylethenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-(2-phenylethenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-(2-phenylethenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate is CCOC(=O)C1OC(C=Cc2ccccc2)=NC1(O)C(F)(F)F.
What is the InChIKey of ethyl 4-hydroxy-2-(2-phenylethenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate?
The InChIKey is QUPNTMWITRLHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO4/c1-2-22-13(20)12-14(21,15(16,17)18)19-11(23-12)9-8-10-6-4-3-5-7-10/h3-9,12,21H,2H2,1H3.
What are the key properties of ethyl 4-hydroxy-2-(2-phenylethenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate?
ethyl 4-hydroxy-2-(2-phenylethenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate has a molecular weight of 329.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-(2-phenylethenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 67293584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).