3-[6-(quinolin-2-yloxymethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C18H11F3N4O2 — CID 138687192

IUPAC3-[6-(quinolin-2-yloxymethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2ccc(COc3ccc4ccccc4n3)nc2)no1
InChIInChI=1S/C18H11F3N4O2/c19-18(20,21)17-24-16(25-27-17)12-5-7-13(22-9-12)10-26-15-8-6-11-3-1-2-4-14(11)23-15/h1-9H,10H2
InChIKeyZYIHCFBOHKILHI-UHFFFAOYSA-N
MW372.31 g/mol
LogP4.28
Rot. Bonds4

About 3-[6-(quinolin-2-yloxymethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[6-(quinolin-2-yloxymethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 138687192) has the molecular formula C18H11F3N4O2 and a molecular weight of 372.31 g/mol. Its IUPAC name is 3-[6-(quinolin-2-yloxymethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-(quinolin-2-yloxymethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID138687192
Molecular FormulaC18H11F3N4O2
Molecular Weight372.31 g/mol
Exact Mass372.08
IUPAC Name3-[6-(quinolin-2-yloxymethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2ccc(COc3ccc4ccccc4n3)nc2)no1
InChIInChI=1S/C18H11F3N4O2/c19-18(20,21)17-24-16(25-27-17)12-5-7-13(22-9-12)10-26-15-8-6-11-3-1-2-4-14(11)23-15/h1-9H,10H2
InChIKeyZYIHCFBOHKILHI-UHFFFAOYSA-N
XLogP4.28
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(quinolin-2-yloxymethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[6-(quinolin-2-yloxymethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 138687192) is 3-[6-(quinolin-2-yloxymethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-(quinolin-2-yloxymethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-(quinolin-2-yloxymethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1nc(-c2ccc(COc3ccc4ccccc4n3)nc2)no1.
What is the InChIKey of 3-[6-(quinolin-2-yloxymethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is ZYIHCFBOHKILHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O2/c19-18(20,21)17-24-16(25-27-17)12-5-7-13(22-9-12)10-26-15-8-6-11-3-1-2-4-14(11)23-15/h1-9H,10H2.
What are the key properties of 3-[6-(quinolin-2-yloxymethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[6-(quinolin-2-yloxymethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 372.31 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(quinolin-2-yloxymethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 138687192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).