2-[2-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole

C15H7F6N3O2 — CID 22744062

IUPAC2-[2-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)Oc1ccccc1-c1nnc(-c2cnccc2C(F)(F)F)o1
InChIInChI=1S/C15H7F6N3O2/c16-14(17,18)10-5-6-22-7-9(10)13-24-23-12(25-13)8-3-1-2-4-11(8)26-15(19,20)21/h1-7H
InChIKeyGCLTYUXUPLUKMI-UHFFFAOYSA-N
MW375.23 g/mol
LogP4.72
Rot. Bonds3

About 2-[2-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole

2-[2-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 22744062) has the molecular formula C15H7F6N3O2 and a molecular weight of 375.23 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID22744062
Molecular FormulaC15H7F6N3O2
Molecular Weight375.23 g/mol
Exact Mass375.04
IUPAC Name2-[2-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)Oc1ccccc1-c1nnc(-c2cnccc2C(F)(F)F)o1
InChIInChI=1S/C15H7F6N3O2/c16-14(17,18)10-5-6-22-7-9(10)13-24-23-12(25-13)8-3-1-2-4-11(8)26-15(19,20)21/h1-7H
InChIKeyGCLTYUXUPLUKMI-UHFFFAOYSA-N
XLogP4.72
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole (CID 22744062) is 2-[2-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole is FC(F)(F)Oc1ccccc1-c1nnc(-c2cnccc2C(F)(F)F)o1.
What is the InChIKey of 2-[2-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is GCLTYUXUPLUKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F6N3O2/c16-14(17,18)10-5-6-22-7-9(10)13-24-23-12(25-13)8-3-1-2-4-11(8)26-15(19,20)21/h1-7H.
What are the key properties of 2-[2-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
2-[2-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 375.23 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 22744062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).