2-(difluoromethyl)-5-[6-[(2-phenyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole

C20H14F2N4O2 — CID 169290321

IUPAC2-(difluoromethyl)-5-[6-[(2-phenyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3ccnc(-c4ccccc4)c3)nc2)o1
InChIInChI=1S/C20H14F2N4O2/c21-18(22)20-26-25-19(28-20)14-6-7-15(24-11-14)12-27-16-8-9-23-17(10-16)13-4-2-1-3-5-13/h1-11,18H,12H2
InChIKeyPNGFDVRAVGEVPG-UHFFFAOYSA-N
MW380.35 g/mol
LogP4.71
Rot. Bonds6

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

2-(difluoromethyl)-5-[6-[(2-phenyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290321) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(2-phenyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(2-phenyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290321
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC Name2-(difluoromethyl)-5-[6-[(2-phenyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3ccnc(-c4ccccc4)c3)nc2)o1
InChIInChI=1S/C20H14F2N4O2/c21-18(22)20-26-25-19(28-20)14-6-7-15(24-11-14)12-27-16-8-9-23-17(10-16)13-4-2-1-3-5-13/h1-11,18H,12H2
InChIKeyPNGFDVRAVGEVPG-UHFFFAOYSA-N
XLogP4.71
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[(2-phenyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(2-phenyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 169290321) is 2-(difluoromethyl)-5-[6-[(2-phenyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(2-phenyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(2-phenyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(COc3ccnc(-c4ccccc4)c3)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(2-phenyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is PNGFDVRAVGEVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c21-18(22)20-26-25-19(28-20)14-6-7-15(24-11-14)12-27-16-8-9-23-17(10-16)13-4-2-1-3-5-13/h1-11,18H,12H2.
What are the key properties of 2-(difluoromethyl)-5-[6-[(2-phenyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(2-phenyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 380.35 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[(2-phenyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).