2-(1-fluoroethyl)-5-[6-(pyridin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole

C15H13FN4O2 — CID 170284045

IUPAC2-(1-fluoroethyl)-5-[6-(pyridin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESCC(F)c1nnc(-c2ccc(COc3ccccn3)nc2)o1
InChIInChI=1S/C15H13FN4O2/c1-10(16)14-19-20-15(22-14)11-5-6-12(18-8-11)9-21-13-4-2-3-7-17-13/h2-8,10H,9H2,1H3
InChIKeyXAXCIWCEWQTAQI-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.14
Rot. Bonds5

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

2-(1-fluoroethyl)-5-[6-(pyridin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 170284045) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-5-[6-(pyridin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-fluoroethyl)-5-[6-(pyridin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID170284045
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name2-(1-fluoroethyl)-5-[6-(pyridin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESCC(F)c1nnc(-c2ccc(COc3ccccn3)nc2)o1
InChIInChI=1S/C15H13FN4O2/c1-10(16)14-19-20-15(22-14)11-5-6-12(18-8-11)9-21-13-4-2-3-7-17-13/h2-8,10H,9H2,1H3
InChIKeyXAXCIWCEWQTAQI-UHFFFAOYSA-N
XLogP3.14
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-fluoroethyl)-5-[6-(pyrazin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 170284072
2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 170284084
2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 170284073
2-[6-[(2-chloro-4-fluorophenoxy)methyl]-3-pyridinyl]-5-(1-fluoroethyl)-1,3,4-oxadiazole
CID 170284032
2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile
CID 169235929
2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290154
2-(difluoromethyl)-5-[6-[(3-methyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290152
2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290136
2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290165
2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290364
2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443333
1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-pyridin-2-yloxy-3,4-dihydro-2λ6,1-benzothiazine 2,2-dioxide
CID 176762476

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-5-[6-(pyridin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1-fluoroethyl)-5-[6-(pyridin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (CID 170284045) is 2-(1-fluoroethyl)-5-[6-(pyridin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-fluoroethyl)-5-[6-(pyridin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-fluoroethyl)-5-[6-(pyridin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is CC(F)c1nnc(-c2ccc(COc3ccccn3)nc2)o1.
What is the InChIKey of 2-(1-fluoroethyl)-5-[6-(pyridin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is XAXCIWCEWQTAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-10(16)14-19-20-15(22-14)11-5-6-12(18-8-11)9-21-13-4-2-3-7-17-13/h2-8,10H,9H2,1H3.
What are the key properties of 2-(1-fluoroethyl)-5-[6-(pyridin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
2-(1-fluoroethyl)-5-[6-(pyridin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 300.29 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-5-[6-(pyridin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 170284045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).