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

C16H11F4N3O3 — CID 156507014

IUPAC4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(3,5-difluorophenoxy)ethyl]pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)ccn1CCOc1cc(F)cc(F)c1
InChIInChI=1S/C16H11F4N3O3/c17-10-6-11(18)8-12(7-10)25-4-3-23-2-1-9(5-13(23)24)15-21-22-16(26-15)14(19)20/h1-2,5-8,14H,3-4H2
InChIKeyYPKQCLGINZNOAZ-UHFFFAOYSA-N
MW369.27 g/mol
LogP3.19
Rot. Bonds6

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

4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(3,5-difluorophenoxy)ethyl]pyridin-2-one (PubChem CID 156507014) has the molecular formula C16H11F4N3O3 and a molecular weight of 369.27 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(3,5-difluorophenoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(3,5-difluorophenoxy)ethyl]pyridin-2-one
PubChem CID156507014
Molecular FormulaC16H11F4N3O3
Molecular Weight369.27 g/mol
Exact Mass369.07
IUPAC Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(3,5-difluorophenoxy)ethyl]pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)ccn1CCOc1cc(F)cc(F)c1
InChIInChI=1S/C16H11F4N3O3/c17-10-6-11(18)8-12(7-10)25-4-3-23-2-1-9(5-13(23)24)15-21-22-16(26-15)14(19)20/h1-2,5-8,14H,3-4H2
InChIKeyYPKQCLGINZNOAZ-UHFFFAOYSA-N
XLogP3.19
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(3,5-difluorophenoxy)ethyl]pyridin-2-one?
The IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(3,5-difluorophenoxy)ethyl]pyridin-2-one (CID 156507014) is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(3,5-difluorophenoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(3,5-difluorophenoxy)ethyl]pyridin-2-one?
The canonical SMILES for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(3,5-difluorophenoxy)ethyl]pyridin-2-one is O=c1cc(-c2nnc(C(F)F)o2)ccn1CCOc1cc(F)cc(F)c1.
What is the InChIKey of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(3,5-difluorophenoxy)ethyl]pyridin-2-one?
The InChIKey is YPKQCLGINZNOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O3/c17-10-6-11(18)8-12(7-10)25-4-3-23-2-1-9(5-13(23)24)15-21-22-16(26-15)14(19)20/h1-2,5-8,14H,3-4H2.
What are the key properties of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(3,5-difluorophenoxy)ethyl]pyridin-2-one?
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(3,5-difluorophenoxy)ethyl]pyridin-2-one has a molecular weight of 369.27 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(3,5-difluorophenoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 156507014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).