3-(naphthalen-1-yloxymethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C20H13F3N2O2 — CID 42692407

IUPAC3-(naphthalen-1-yloxymethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2nc(COc3cccc4ccccc34)no2)c1
InChIInChI=1S/C20H13F3N2O2/c21-20(22,23)15-8-3-7-14(11-15)19-24-18(25-27-19)12-26-17-10-4-6-13-5-1-2-9-16(13)17/h1-11H,12H2
InChIKeySYFFCIBWQSZACZ-UHFFFAOYSA-N
MW370.33 g/mol
LogP5.49
Rot. Bonds4

About 3-(naphthalen-1-yloxymethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

3-(naphthalen-1-yloxymethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 42692407) has the molecular formula C20H13F3N2O2 and a molecular weight of 370.33 g/mol. Its IUPAC name is 3-(naphthalen-1-yloxymethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(naphthalen-1-yloxymethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID42692407
Molecular FormulaC20H13F3N2O2
Molecular Weight370.33 g/mol
Exact Mass370.09
IUPAC Name3-(naphthalen-1-yloxymethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2nc(COc3cccc4ccccc34)no2)c1
InChIInChI=1S/C20H13F3N2O2/c21-20(22,23)15-8-3-7-14(11-15)19-24-18(25-27-19)12-26-17-10-4-6-13-5-1-2-9-16(13)17/h1-11H,12H2
InChIKeySYFFCIBWQSZACZ-UHFFFAOYSA-N
XLogP5.49
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.33
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-yloxymethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(naphthalen-1-yloxymethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 42692407) is 3-(naphthalen-1-yloxymethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(naphthalen-1-yloxymethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(naphthalen-1-yloxymethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1cccc(-c2nc(COc3cccc4ccccc34)no2)c1.
What is the InChIKey of 3-(naphthalen-1-yloxymethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is SYFFCIBWQSZACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O2/c21-20(22,23)15-8-3-7-14(11-15)19-24-18(25-27-19)12-26-17-10-4-6-13-5-1-2-9-16(13)17/h1-11H,12H2.
What are the key properties of 3-(naphthalen-1-yloxymethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
3-(naphthalen-1-yloxymethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 370.33 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-yloxymethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42692407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).