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

C14H14F3NO5 — CID 57337834

IUPACethyl 4-hydroxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)C1OC(c2ccc(OC)cc2)=NC1(O)C(F)(F)F
InChIInChI=1S/C14H14F3NO5/c1-3-22-12(19)10-13(20,14(15,16)17)18-11(23-10)8-4-6-9(21-2)7-5-8/h4-7,10,20H,3H2,1-2H3
InChIKeyOFNDMWAZERKWCU-UHFFFAOYSA-N
MW333.26 g/mol
LogP1.65
Rot. Bonds4

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

ethyl 4-hydroxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate (PubChem CID 57337834) has the molecular formula C14H14F3NO5 and a molecular weight of 333.26 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate
PubChem CID57337834
Molecular FormulaC14H14F3NO5
Molecular Weight333.26 g/mol
Exact Mass333.08
IUPAC Nameethyl 4-hydroxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)C1OC(c2ccc(OC)cc2)=NC1(O)C(F)(F)F
InChIInChI=1S/C14H14F3NO5/c1-3-22-12(19)10-13(20,14(15,16)17)18-11(23-10)8-4-6-9(21-2)7-5-8/h4-7,10,20H,3H2,1-2H3
InChIKeyOFNDMWAZERKWCU-UHFFFAOYSA-N
XLogP1.65
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate (CID 57337834) is ethyl 4-hydroxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate is CCOC(=O)C1OC(c2ccc(OC)cc2)=NC1(O)C(F)(F)F.
What is the InChIKey of ethyl 4-hydroxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate?
The InChIKey is OFNDMWAZERKWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO5/c1-3-22-12(19)10-13(20,14(15,16)17)18-11(23-10)8-4-6-9(21-2)7-5-8/h4-7,10,20H,3H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate?
ethyl 4-hydroxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate has a molecular weight of 333.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-5H-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 57337834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).