1-[2-(2-fluorophenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one

C15H12FN3O3 — CID 47045848

IUPAC1-[2-(2-fluorophenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one
SMILESO=c1ccc(-c2nnco2)cn1CCOc1ccccc1F
InChIInChI=1S/C15H12FN3O3/c16-12-3-1-2-4-13(12)21-8-7-19-9-11(5-6-14(19)20)15-18-17-10-22-15/h1-6,9-10H,7-8H2
InChIKeySXWTUEKLUJUMMB-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.12
Rot. Bonds5

About 1-[2-(2-fluorophenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one

1-[2-(2-fluorophenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one (PubChem CID 47045848) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one
PubChem CID47045848
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Name1-[2-(2-fluorophenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one
SMILESO=c1ccc(-c2nnco2)cn1CCOc1ccccc1F
InChIInChI=1S/C15H12FN3O3/c16-12-3-1-2-4-13(12)21-8-7-19-9-11(5-6-14(19)20)15-18-17-10-22-15/h1-6,9-10H,7-8H2
InChIKeySXWTUEKLUJUMMB-UHFFFAOYSA-N
XLogP2.12
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one?
The IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one (CID 47045848) is 1-[2-(2-fluorophenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one?
The canonical SMILES for 1-[2-(2-fluorophenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one is O=c1ccc(-c2nnco2)cn1CCOc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one?
The InChIKey is SXWTUEKLUJUMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c16-12-3-1-2-4-13(12)21-8-7-19-9-11(5-6-14(19)20)15-18-17-10-22-15/h1-6,9-10H,7-8H2.
What are the key properties of 1-[2-(2-fluorophenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one?
1-[2-(2-fluorophenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one has a molecular weight of 301.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)ethyl]-5-(1,3,4-oxadiazol-2-yl)pyridin-2-one is sourced from PubChem (CID 47045848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).