ethyl 5-[[2-(trifluoromethyl)quinolin-7-yl]oxymethyl]-1,2-oxazole-3-carboxylate

C17H13F3N2O4 — CID 46230180

IUPACethyl 5-[[2-(trifluoromethyl)quinolin-7-yl]oxymethyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(COc2ccc3ccc(C(F)(F)F)nc3c2)on1
InChIInChI=1S/C17H13F3N2O4/c1-2-24-16(23)14-8-12(26-22-14)9-25-11-5-3-10-4-6-15(17(18,19)20)21-13(10)7-11/h3-8H,2,9H2,1H3
InChIKeyHNLIXNQTZVUUBA-UHFFFAOYSA-N
MW366.30 g/mol
LogP4.00
Rot. Bonds5

About ethyl 5-[[2-(trifluoromethyl)quinolin-7-yl]oxymethyl]-1,2-oxazole-3-carboxylate

ethyl 5-[[2-(trifluoromethyl)quinolin-7-yl]oxymethyl]-1,2-oxazole-3-carboxylate (PubChem CID 46230180) has the molecular formula C17H13F3N2O4 and a molecular weight of 366.30 g/mol. Its IUPAC name is ethyl 5-[[2-(trifluoromethyl)quinolin-7-yl]oxymethyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-(trifluoromethyl)quinolin-7-yl]oxymethyl]-1,2-oxazole-3-carboxylate
PubChem CID46230180
Molecular FormulaC17H13F3N2O4
Molecular Weight366.30 g/mol
Exact Mass366.08
IUPAC Nameethyl 5-[[2-(trifluoromethyl)quinolin-7-yl]oxymethyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(COc2ccc3ccc(C(F)(F)F)nc3c2)on1
InChIInChI=1S/C17H13F3N2O4/c1-2-24-16(23)14-8-12(26-22-14)9-25-11-5-3-10-4-6-15(17(18,19)20)21-13(10)7-11/h3-8H,2,9H2,1H3
InChIKeyHNLIXNQTZVUUBA-UHFFFAOYSA-N
XLogP4.00
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-(trifluoromethyl)quinolin-7-yl]oxymethyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[[2-(trifluoromethyl)quinolin-7-yl]oxymethyl]-1,2-oxazole-3-carboxylate (CID 46230180) is ethyl 5-[[2-(trifluoromethyl)quinolin-7-yl]oxymethyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[[2-(trifluoromethyl)quinolin-7-yl]oxymethyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[[2-(trifluoromethyl)quinolin-7-yl]oxymethyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(COc2ccc3ccc(C(F)(F)F)nc3c2)on1.
What is the InChIKey of ethyl 5-[[2-(trifluoromethyl)quinolin-7-yl]oxymethyl]-1,2-oxazole-3-carboxylate?
The InChIKey is HNLIXNQTZVUUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O4/c1-2-24-16(23)14-8-12(26-22-14)9-25-11-5-3-10-4-6-15(17(18,19)20)21-13(10)7-11/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 5-[[2-(trifluoromethyl)quinolin-7-yl]oxymethyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[[2-(trifluoromethyl)quinolin-7-yl]oxymethyl]-1,2-oxazole-3-carboxylate has a molecular weight of 366.30 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-(trifluoromethyl)quinolin-7-yl]oxymethyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 46230180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).