[5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]-1,2-oxazol-3-yl]methanol

C16H10F6N2O3 — CID 46230137

IUPAC[5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1
InChIInChI=1S/C16H10F6N2O3/c17-15(18,19)11-3-1-2-10-12(5-13(16(20,21)22)23-14(10)11)26-7-9-4-8(6-25)24-27-9/h1-5,25H,6-7H2
InChIKeyGDDKNULSPACAGC-UHFFFAOYSA-N
MW392.26 g/mol
LogP4.33
Rot. Bonds4

About [5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]-1,2-oxazol-3-yl]methanol

[5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]-1,2-oxazol-3-yl]methanol (PubChem CID 46230137) has the molecular formula C16H10F6N2O3 and a molecular weight of 392.26 g/mol. Its IUPAC name is [5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]-1,2-oxazol-3-yl]methanol
PubChem CID46230137
Molecular FormulaC16H10F6N2O3
Molecular Weight392.26 g/mol
Exact Mass392.06
IUPAC Name[5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1
InChIInChI=1S/C16H10F6N2O3/c17-15(18,19)11-3-1-2-10-12(5-13(16(20,21)22)23-14(10)11)26-7-9-4-8(6-25)24-27-9/h1-5,25H,6-7H2
InChIKeyGDDKNULSPACAGC-UHFFFAOYSA-N
XLogP4.33
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]-1,2-oxazol-3-yl]methanol (CID 46230137) is [5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]-1,2-oxazol-3-yl]methanol is OCc1cc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1.
What is the InChIKey of [5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]-1,2-oxazol-3-yl]methanol?
The InChIKey is GDDKNULSPACAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N2O3/c17-15(18,19)11-3-1-2-10-12(5-13(16(20,21)22)23-14(10)11)26-7-9-4-8(6-25)24-27-9/h1-5,25H,6-7H2.
What are the key properties of [5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]-1,2-oxazol-3-yl]methanol?
[5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]-1,2-oxazol-3-yl]methanol has a molecular weight of 392.26 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 46230137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).