5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3-oxazole

C14H9F3N2O3 — CID 167912457

IUPAC5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3-oxazole
SMILESFC(F)(F)Oc1ccc2nc(OCc3cnco3)ccc2c1
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)22-10-2-3-12-9(5-10)1-4-13(19-12)20-7-11-6-18-8-21-11/h1-6,8H,7H2
InChIKeyPTAYGEYESCKKLN-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.70
Rot. Bonds4

About 5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3-oxazole

5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3-oxazole (PubChem CID 167912457) has the molecular formula C14H9F3N2O3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3-oxazole
PubChem CID167912457
Molecular FormulaC14H9F3N2O3
Molecular Weight310.23 g/mol
Exact Mass310.06
IUPAC Name5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3-oxazole
SMILESFC(F)(F)Oc1ccc2nc(OCc3cnco3)ccc2c1
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)22-10-2-3-12-9(5-10)1-4-13(19-12)20-7-11-6-18-8-21-11/h1-6,8H,7H2
InChIKeyPTAYGEYESCKKLN-UHFFFAOYSA-N
XLogP3.70
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3-oxazole?
The IUPAC name of 5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3-oxazole (CID 167912457) is 5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3-oxazole.
What is the SMILES notation for 5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3-oxazole?
The canonical SMILES for 5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3-oxazole is FC(F)(F)Oc1ccc2nc(OCc3cnco3)ccc2c1.
What is the InChIKey of 5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3-oxazole?
The InChIKey is PTAYGEYESCKKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O3/c15-14(16,17)22-10-2-3-12-9(5-10)1-4-13(19-12)20-7-11-6-18-8-21-11/h1-6,8H,7H2.
What are the key properties of 5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3-oxazole?
5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3-oxazole has a molecular weight of 310.23 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3-oxazole is sourced from PubChem (CID 167912457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).