3-[2-(quinolin-2-yloxymethyl)pyrimidin-5-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C17H10F3N5O2 — CID 138687189

IUPAC3-[2-(quinolin-2-yloxymethyl)pyrimidin-5-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2cnc(COc3ccc4ccccc4n3)nc2)no1
InChIInChI=1S/C17H10F3N5O2/c18-17(19,20)16-24-15(25-27-16)11-7-21-13(22-8-11)9-26-14-6-5-10-3-1-2-4-12(10)23-14/h1-8H,9H2
InChIKeyYKOOUQCCTXUXPE-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.67
Rot. Bonds4

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

3-[2-(quinolin-2-yloxymethyl)pyrimidin-5-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 138687189) has the molecular formula C17H10F3N5O2 and a molecular weight of 373.29 g/mol. Its IUPAC name is 3-[2-(quinolin-2-yloxymethyl)pyrimidin-5-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(quinolin-2-yloxymethyl)pyrimidin-5-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID138687189
Molecular FormulaC17H10F3N5O2
Molecular Weight373.29 g/mol
Exact Mass373.08
IUPAC Name3-[2-(quinolin-2-yloxymethyl)pyrimidin-5-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2cnc(COc3ccc4ccccc4n3)nc2)no1
InChIInChI=1S/C17H10F3N5O2/c18-17(19,20)16-24-15(25-27-16)11-7-21-13(22-8-11)9-26-14-6-5-10-3-1-2-4-12(10)23-14/h1-8H,9H2
InChIKeyYKOOUQCCTXUXPE-UHFFFAOYSA-N
XLogP3.67
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(quinolin-2-yloxymethyl)pyrimidin-5-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(quinolin-2-yloxymethyl)pyrimidin-5-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 138687189) is 3-[2-(quinolin-2-yloxymethyl)pyrimidin-5-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(quinolin-2-yloxymethyl)pyrimidin-5-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(quinolin-2-yloxymethyl)pyrimidin-5-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1nc(-c2cnc(COc3ccc4ccccc4n3)nc2)no1.
What is the InChIKey of 3-[2-(quinolin-2-yloxymethyl)pyrimidin-5-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is YKOOUQCCTXUXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N5O2/c18-17(19,20)16-24-15(25-27-16)11-7-21-13(22-8-11)9-26-14-6-5-10-3-1-2-4-12(10)23-14/h1-8H,9H2.
What are the key properties of 3-[2-(quinolin-2-yloxymethyl)pyrimidin-5-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[2-(quinolin-2-yloxymethyl)pyrimidin-5-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 373.29 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(quinolin-2-yloxymethyl)pyrimidin-5-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 138687189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).