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

C18H12F2N4O2 — CID 169290136

IUPAC2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3cccc4ncccc34)nc2)o1
InChIInChI=1S/C18H12F2N4O2/c19-16(20)18-24-23-17(26-18)11-6-7-12(22-9-11)10-25-15-5-1-4-14-13(15)3-2-8-21-14/h1-9,16H,10H2
InChIKeyAMTCSHBTCPEPOX-UHFFFAOYSA-N
MW354.32 g/mol
LogP4.20
Rot. Bonds5

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

2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290136) has the molecular formula C18H12F2N4O2 and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290136
Molecular FormulaC18H12F2N4O2
Molecular Weight354.32 g/mol
Exact Mass354.09
IUPAC Name2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3cccc4ncccc34)nc2)o1
InChIInChI=1S/C18H12F2N4O2/c19-16(20)18-24-23-17(26-18)11-6-7-12(22-9-11)10-25-15-5-1-4-14-13(15)3-2-8-21-14/h1-9,16H,10H2
InChIKeyAMTCSHBTCPEPOX-UHFFFAOYSA-N
XLogP4.20
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (CID 169290136) is 2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(COc3cccc4ncccc34)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is AMTCSHBTCPEPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O2/c19-16(20)18-24-23-17(26-18)11-6-7-12(22-9-11)10-25-15-5-1-4-14-13(15)3-2-8-21-14/h1-9,16H,10H2.
What are the key properties of 2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 354.32 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).