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

C15H14F3NO4 — CID 58428862

IUPACethyl 4-hydroxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)C1OC(/C=C/c2ccccc2)=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/b9-8+
InChIKeyQUPNTMWITRLHPZ-CMDGGOBGSA-N
MW329.27 g/mol
LogP2.31
Rot. Bonds4

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

ethyl 4-hydroxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate (PubChem CID 58428862) has the molecular formula C15H14F3NO4 and a molecular weight of 329.27 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate
PubChem CID58428862
Molecular FormulaC15H14F3NO4
Molecular Weight329.27 g/mol
Exact Mass329.09
IUPAC Nameethyl 4-hydroxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)C1OC(/C=C/c2ccccc2)=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/b9-8+
InChIKeyQUPNTMWITRLHPZ-CMDGGOBGSA-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

Analyze ethyl 4-hydroxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate (CID 58428862) is ethyl 4-hydroxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate is CCOC(=O)C1OC(/C=C/c2ccccc2)=NC1(O)C(F)(F)F.
What is the InChIKey of ethyl 4-hydroxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate?
The InChIKey is QUPNTMWITRLHPZ-CMDGGOBGSA-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/b9-8+.
What are the key properties of ethyl 4-hydroxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate?
ethyl 4-hydroxy-2-[(E)-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-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 58428862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).