[3-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate

C15H6F5N3O3 — CID 140530207

IUPAC[3-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate
SMILESO=C(Oc1ncccc1-c1nnc(-c2cc(F)cc(F)c2)o1)C(F)(F)F
InChIInChI=1S/C15H6F5N3O3/c16-8-4-7(5-9(17)6-8)11-22-23-13(25-11)10-2-1-3-21-12(10)26-14(24)15(18,19)20/h1-6H
InChIKeyFNPVXTNQZIKULT-UHFFFAOYSA-N
MW371.22 g/mol
LogP3.54
Rot. Bonds3

About [3-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate

[3-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate (PubChem CID 140530207) has the molecular formula C15H6F5N3O3 and a molecular weight of 371.22 g/mol. Its IUPAC name is [3-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[3-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate
PubChem CID140530207
Molecular FormulaC15H6F5N3O3
Molecular Weight371.22 g/mol
Exact Mass371.03
IUPAC Name[3-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate
SMILESO=C(Oc1ncccc1-c1nnc(-c2cc(F)cc(F)c2)o1)C(F)(F)F
InChIInChI=1S/C15H6F5N3O3/c16-8-4-7(5-9(17)6-8)11-22-23-13(25-11)10-2-1-3-21-12(10)26-14(24)15(18,19)20/h1-6H
InChIKeyFNPVXTNQZIKULT-UHFFFAOYSA-N
XLogP3.54
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate?
The IUPAC name of [3-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate (CID 140530207) is [3-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [3-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [3-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate is O=C(Oc1ncccc1-c1nnc(-c2cc(F)cc(F)c2)o1)C(F)(F)F.
What is the InChIKey of [3-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate?
The InChIKey is FNPVXTNQZIKULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F5N3O3/c16-8-4-7(5-9(17)6-8)11-22-23-13(25-11)10-2-1-3-21-12(10)26-14(24)15(18,19)20/h1-6H.
What are the key properties of [3-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate?
[3-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate has a molecular weight of 371.22 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 140530207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).