ethyl 5-[1-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxyethyl]-1,2-oxazole-3-carboxylate

C19H14F6N2O4 — CID 44549203

IUPACethyl 5-[1-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxyethyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)Oc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1
InChIInChI=1S/C19H14F6N2O4/c1-3-29-17(28)12-7-13(31-27-12)9(2)30-14-8-15(19(23,24)25)26-16-10(14)5-4-6-11(16)18(20,21)22/h4-9H,3H2,1-2H3
InChIKeyWFXFQABNPYTLNK-UHFFFAOYSA-N
MW448.32 g/mol
LogP5.58
Rot. Bonds5

About ethyl 5-[1-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxyethyl]-1,2-oxazole-3-carboxylate

ethyl 5-[1-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxyethyl]-1,2-oxazole-3-carboxylate (PubChem CID 44549203) has the molecular formula C19H14F6N2O4 and a molecular weight of 448.32 g/mol. Its IUPAC name is ethyl 5-[1-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxyethyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxyethyl]-1,2-oxazole-3-carboxylate
PubChem CID44549203
Molecular FormulaC19H14F6N2O4
Molecular Weight448.32 g/mol
Exact Mass448.09
IUPAC Nameethyl 5-[1-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxyethyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)Oc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1
InChIInChI=1S/C19H14F6N2O4/c1-3-29-17(28)12-7-13(31-27-12)9(2)30-14-8-15(19(23,24)25)26-16-10(14)5-4-6-11(16)18(20,21)22/h4-9H,3H2,1-2H3
InChIKeyWFXFQABNPYTLNK-UHFFFAOYSA-N
XLogP5.58
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.32
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[1-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxyethyl]-1,2-oxazole-3-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 5-[1-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxyethyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[1-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxyethyl]-1,2-oxazole-3-carboxylate (CID 44549203) is ethyl 5-[1-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxyethyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[1-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxyethyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[1-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxyethyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(C(C)Oc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1.
What is the InChIKey of ethyl 5-[1-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxyethyl]-1,2-oxazole-3-carboxylate?
The InChIKey is WFXFQABNPYTLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N2O4/c1-3-29-17(28)12-7-13(31-27-12)9(2)30-14-8-15(19(23,24)25)26-16-10(14)5-4-6-11(16)18(20,21)22/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 5-[1-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxyethyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[1-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxyethyl]-1,2-oxazole-3-carboxylate has a molecular weight of 448.32 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxyethyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 44549203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).