2-[3-(difluoromethoxy)phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole

C14H9F2N3O2 — CID 19582896

IUPAC2-[3-(difluoromethoxy)phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESFC(F)Oc1cccc(-c2nnc(-c3ccccn3)o2)c1
InChIInChI=1S/C14H9F2N3O2/c15-14(16)20-10-5-3-4-9(8-10)12-18-19-13(21-12)11-6-1-2-7-17-11/h1-8,14H
InChIKeyOETRFIGPHATINM-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.40
Rot. Bonds4

About 2-[3-(difluoromethoxy)phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole

2-[3-(difluoromethoxy)phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 19582896) has the molecular formula C14H9F2N3O2 and a molecular weight of 289.24 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID19582896
Molecular FormulaC14H9F2N3O2
Molecular Weight289.24 g/mol
Exact Mass289.07
IUPAC Name2-[3-(difluoromethoxy)phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESFC(F)Oc1cccc(-c2nnc(-c3ccccn3)o2)c1
InChIInChI=1S/C14H9F2N3O2/c15-14(16)20-10-5-3-4-9(8-10)12-18-19-13(21-12)11-6-1-2-7-17-11/h1-8,14H
InChIKeyOETRFIGPHATINM-UHFFFAOYSA-N
XLogP3.40
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(difluoromethoxy)phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole (CID 19582896) is 2-[3-(difluoromethoxy)phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(difluoromethoxy)phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(difluoromethoxy)phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole is FC(F)Oc1cccc(-c2nnc(-c3ccccn3)o2)c1.
What is the InChIKey of 2-[3-(difluoromethoxy)phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is OETRFIGPHATINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O2/c15-14(16)20-10-5-3-4-9(8-10)12-18-19-13(21-12)11-6-1-2-7-17-11/h1-8,14H.
What are the key properties of 2-[3-(difluoromethoxy)phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
2-[3-(difluoromethoxy)phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 289.24 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 19582896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).