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

C12H8F2N4O3 — CID 169290189

IUPAC2-(difluoromethyl)-5-[6-(1,2-oxazol-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3ccon3)nc2)o1
InChIInChI=1S/C12H8F2N4O3/c13-10(14)12-17-16-11(21-12)7-1-2-8(15-5-7)6-19-9-3-4-20-18-9/h1-5,10H,6H2
InChIKeyNDZBSETUBNBALW-UHFFFAOYSA-N
MW294.22 g/mol
LogP2.64
Rot. Bonds5

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

2-(difluoromethyl)-5-[6-(1,2-oxazol-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290189) has the molecular formula C12H8F2N4O3 and a molecular weight of 294.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-(1,2-oxazol-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-(1,2-oxazol-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290189
Molecular FormulaC12H8F2N4O3
Molecular Weight294.22 g/mol
Exact Mass294.06
IUPAC Name2-(difluoromethyl)-5-[6-(1,2-oxazol-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3ccon3)nc2)o1
InChIInChI=1S/C12H8F2N4O3/c13-10(14)12-17-16-11(21-12)7-1-2-8(15-5-7)6-19-9-3-4-20-18-9/h1-5,10H,6H2
InChIKeyNDZBSETUBNBALW-UHFFFAOYSA-N
XLogP2.64
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 52.64
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-(1,2-oxazol-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-(1,2-oxazol-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (CID 169290189) is 2-(difluoromethyl)-5-[6-(1,2-oxazol-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-(1,2-oxazol-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-(1,2-oxazol-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(COc3ccon3)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-(1,2-oxazol-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is NDZBSETUBNBALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4O3/c13-10(14)12-17-16-11(21-12)7-1-2-8(15-5-7)6-19-9-3-4-20-18-9/h1-5,10H,6H2.
What are the key properties of 2-(difluoromethyl)-5-[6-(1,2-oxazol-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-(1,2-oxazol-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 294.22 g/mol, XLogP of 2.64, 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-(1,2-oxazol-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).