2-(difluoromethyl)-5-[6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole

C16H11F2N5O2 — CID 169290331

IUPAC2-(difluoromethyl)-5-[6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3cccn4ccnc34)nc2)o1
InChIInChI=1S/C16H11F2N5O2/c17-13(18)16-22-21-15(25-16)10-3-4-11(20-8-10)9-24-12-2-1-6-23-7-5-19-14(12)23/h1-8,13H,9H2
InChIKeyALHJZUONXJZOBX-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.30
Rot. Bonds5

About 2-(difluoromethyl)-5-[6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290331) has the molecular formula C16H11F2N5O2 and a molecular weight of 343.29 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290331
Molecular FormulaC16H11F2N5O2
Molecular Weight343.29 g/mol
Exact Mass343.09
IUPAC Name2-(difluoromethyl)-5-[6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3cccn4ccnc34)nc2)o1
InChIInChI=1S/C16H11F2N5O2/c17-13(18)16-22-21-15(25-16)10-3-4-11(20-8-10)9-24-12-2-1-6-23-7-5-19-14(12)23/h1-8,13H,9H2
InChIKeyALHJZUONXJZOBX-UHFFFAOYSA-N
XLogP3.30
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (CID 169290331) is 2-(difluoromethyl)-5-[6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(COc3cccn4ccnc34)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is ALHJZUONXJZOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N5O2/c17-13(18)16-22-21-15(25-16)10-3-4-11(20-8-10)9-24-12-2-1-6-23-7-5-19-14(12)23/h1-8,13H,9H2.
What are the key properties of 2-(difluoromethyl)-5-[6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 343.29 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).