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

C14H8F3N3O2 — CID 2744775

IUPAC2-pyridin-4-yl-5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)Oc1ccccc1-c1nnc(-c2ccncc2)o1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)22-11-4-2-1-3-10(11)13-20-19-12(21-13)9-5-7-18-8-6-9/h1-8H
InChIKeyWBVPMCASLIQIMS-UHFFFAOYSA-N
MW307.23 g/mol
LogP3.70
Rot. Bonds3

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

2-pyridin-4-yl-5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole (PubChem CID 2744775) has the molecular formula C14H8F3N3O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 2-pyridin-4-yl-5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyridin-4-yl-5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
PubChem CID2744775
Molecular FormulaC14H8F3N3O2
Molecular Weight307.23 g/mol
Exact Mass307.06
IUPAC Name2-pyridin-4-yl-5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)Oc1ccccc1-c1nnc(-c2ccncc2)o1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)22-11-4-2-1-3-10(11)13-20-19-12(21-13)9-5-7-18-8-6-9/h1-8H
InChIKeyWBVPMCASLIQIMS-UHFFFAOYSA-N
XLogP3.70
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-pyridin-4-yl-5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole (CID 2744775) is 2-pyridin-4-yl-5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyridin-4-yl-5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-pyridin-4-yl-5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole is FC(F)(F)Oc1ccccc1-c1nnc(-c2ccncc2)o1.
What is the InChIKey of 2-pyridin-4-yl-5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole?
The InChIKey is WBVPMCASLIQIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2/c15-14(16,17)22-11-4-2-1-3-10(11)13-20-19-12(21-13)9-5-7-18-8-6-9/h1-8H.
What are the key properties of 2-pyridin-4-yl-5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole?
2-pyridin-4-yl-5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole has a molecular weight of 307.23 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2744775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).