2-(3,5-difluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid

C15H8F5N3O3 — CID 68718544

IUPAC2-(3,5-difluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
SMILESFc1cc(F)cc(-c2nnc(-c3cccnc3)o2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H7F2N3O.C2HF3O2/c14-10-4-9(5-11(15)6-10)13-18-17-12(19-13)8-2-1-3-16-7-8;3-2(4,5)1(6)7/h1-7H;(H,6,7)
InChIKeyJIRDEJYPBDNNQL-UHFFFAOYSA-N
MW373.24 g/mol
LogP3.71
Rot. Bonds2

About 2-(3,5-difluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid

2-(3,5-difluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid (PubChem CID 68718544) has the molecular formula C15H8F5N3O3 and a molecular weight of 373.24 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
PubChem CID68718544
Molecular FormulaC15H8F5N3O3
Molecular Weight373.24 g/mol
Exact Mass373.05
IUPAC Name2-(3,5-difluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
SMILESFc1cc(F)cc(-c2nnc(-c3cccnc3)o2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H7F2N3O.C2HF3O2/c14-10-4-9(5-11(15)6-10)13-18-17-12(19-13)8-2-1-3-16-7-8;3-2(4,5)1(6)7/h1-7H;(H,6,7)
InChIKeyJIRDEJYPBDNNQL-UHFFFAOYSA-N
XLogP3.71
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(3,5-difluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid (CID 68718544) is 2-(3,5-difluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(3,5-difluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(3,5-difluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid is Fc1cc(F)cc(-c2nnc(-c3cccnc3)o2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(3,5-difluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid?
The InChIKey is JIRDEJYPBDNNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N3O.C2HF3O2/c14-10-4-9(5-11(15)6-10)13-18-17-12(19-13)8-2-1-3-16-7-8;3-2(4,5)1(6)7/h1-7H;(H,6,7).
What are the key properties of 2-(3,5-difluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid?
2-(3,5-difluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid has a molecular weight of 373.24 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68718544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).