2-(difluoromethyl)-5-[5-fluoro-6-(quinoxalin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole

C17H10F3N5O2 — CID 169290203

IUPAC2-(difluoromethyl)-5-[5-fluoro-6-(quinoxalin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFc1cc(-c2nnc(C(F)F)o2)cnc1COc1cccc2nccnc12
InChIInChI=1S/C17H10F3N5O2/c18-10-6-9(16-24-25-17(27-16)15(19)20)7-23-12(10)8-26-13-3-1-2-11-14(13)22-5-4-21-11/h1-7,15H,8H2
InChIKeyGOPHXEMYNOOBFT-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.73
Rot. Bonds5

About 2-(difluoromethyl)-5-[5-fluoro-6-(quinoxalin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[5-fluoro-6-(quinoxalin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290203) has the molecular formula C17H10F3N5O2 and a molecular weight of 373.29 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[5-fluoro-6-(quinoxalin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[5-fluoro-6-(quinoxalin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290203
Molecular FormulaC17H10F3N5O2
Molecular Weight373.29 g/mol
Exact Mass373.08
IUPAC Name2-(difluoromethyl)-5-[5-fluoro-6-(quinoxalin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFc1cc(-c2nnc(C(F)F)o2)cnc1COc1cccc2nccnc12
InChIInChI=1S/C17H10F3N5O2/c18-10-6-9(16-24-25-17(27-16)15(19)20)7-23-12(10)8-26-13-3-1-2-11-14(13)22-5-4-21-11/h1-7,15H,8H2
InChIKeyGOPHXEMYNOOBFT-UHFFFAOYSA-N
XLogP3.73
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[5-fluoro-6-(quinoxalin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[5-fluoro-6-(quinoxalin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (CID 169290203) is 2-(difluoromethyl)-5-[5-fluoro-6-(quinoxalin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[5-fluoro-6-(quinoxalin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[5-fluoro-6-(quinoxalin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is Fc1cc(-c2nnc(C(F)F)o2)cnc1COc1cccc2nccnc12.
What is the InChIKey of 2-(difluoromethyl)-5-[5-fluoro-6-(quinoxalin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is GOPHXEMYNOOBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N5O2/c18-10-6-9(16-24-25-17(27-16)15(19)20)7-23-12(10)8-26-13-3-1-2-11-14(13)22-5-4-21-11/h1-7,15H,8H2.
What are the key properties of 2-(difluoromethyl)-5-[5-fluoro-6-(quinoxalin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[5-fluoro-6-(quinoxalin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 373.29 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[5-fluoro-6-(quinoxalin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).