4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine

C20H13F3N4O — CID 25110230

IUPAC4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESNc1cc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)ccn1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)16-10-14(6-7-15(16)12-4-2-1-3-5-12)19-26-18(27-28-19)13-8-9-25-17(24)11-13/h1-11H,(H2,24,25)
InChIKeyMNUOZSIAEZBHST-UHFFFAOYSA-N
MW382.35 g/mol
LogP5.07
Rot. Bonds3

About 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine

4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 25110230) has the molecular formula C20H13F3N4O and a molecular weight of 382.35 g/mol. Its IUPAC name is 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID25110230
Molecular FormulaC20H13F3N4O
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Name4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESNc1cc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)ccn1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)16-10-14(6-7-15(16)12-4-2-1-3-5-12)19-26-18(27-28-19)13-8-9-25-17(24)11-13/h1-11H,(H2,24,25)
InChIKeyMNUOZSIAEZBHST-UHFFFAOYSA-N
XLogP5.07
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.35
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 25110230) is 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is Nc1cc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)ccn1.
What is the InChIKey of 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is MNUOZSIAEZBHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O/c21-20(22,23)16-10-14(6-7-15(16)12-4-2-1-3-5-12)19-26-18(27-28-19)13-8-9-25-17(24)11-13/h1-11H,(H2,24,25).
What are the key properties of 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 382.35 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 25110230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).