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

C16H12F3N3O3 — CID 167346825

IUPAC4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(4-fluorophenoxy)ethyl]pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)ccn1CCOc1ccc(F)cc1
InChIInChI=1S/C16H12F3N3O3/c17-11-1-3-12(4-2-11)24-8-7-22-6-5-10(9-13(22)23)15-20-21-16(25-15)14(18)19/h1-6,9,14H,7-8H2
InChIKeyGQJKGLCUKIOANF-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.05
Rot. Bonds6

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

4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(4-fluorophenoxy)ethyl]pyridin-2-one (PubChem CID 167346825) has the molecular formula C16H12F3N3O3 and a molecular weight of 351.28 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(4-fluorophenoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(4-fluorophenoxy)ethyl]pyridin-2-one
PubChem CID167346825
Molecular FormulaC16H12F3N3O3
Molecular Weight351.28 g/mol
Exact Mass351.08
IUPAC Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(4-fluorophenoxy)ethyl]pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)ccn1CCOc1ccc(F)cc1
InChIInChI=1S/C16H12F3N3O3/c17-11-1-3-12(4-2-11)24-8-7-22-6-5-10(9-13(22)23)15-20-21-16(25-15)14(18)19/h1-6,9,14H,7-8H2
InChIKeyGQJKGLCUKIOANF-UHFFFAOYSA-N
XLogP3.05
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.05
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-(4-fluorophenoxy)ethyl]pyridin-2-one?
The IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(4-fluorophenoxy)ethyl]pyridin-2-one (CID 167346825) is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(4-fluorophenoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(4-fluorophenoxy)ethyl]pyridin-2-one?
The canonical SMILES for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(4-fluorophenoxy)ethyl]pyridin-2-one is O=c1cc(-c2nnc(C(F)F)o2)ccn1CCOc1ccc(F)cc1.
What is the InChIKey of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(4-fluorophenoxy)ethyl]pyridin-2-one?
The InChIKey is GQJKGLCUKIOANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3/c17-11-1-3-12(4-2-11)24-8-7-22-6-5-10(9-13(22)23)15-20-21-16(25-15)14(18)19/h1-6,9,14H,7-8H2.
What are the key properties of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(4-fluorophenoxy)ethyl]pyridin-2-one?
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-(4-fluorophenoxy)ethyl]pyridin-2-one has a molecular weight of 351.28 g/mol, XLogP of 3.05, 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-(4-fluorophenoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 167346825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).