5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

C20H14F3N5O2 — CID 53476407

About 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 53476407) has the molecular formula C20H14F3N5O2 and a molecular weight of 413.36 g/mol. Its IUPAC name is 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
• PubChem CID: 53476407
• Molecular Formula: C20H14F3N5O2
• Molecular Weight: 413.36 g/mol
• Exact Mass: 413.11
• IUPAC Name: 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
• SMILES: Nc1cc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)o3)cc2)ccn1
• InChI: InChI=1S/C20H14F3N5O2/c21-20(22,23)13-2-1-3-14(10-13)26-19-28-27-18(30-19)12-4-6-15(7-5-12)29-16-8-9-25-17(24)11-16/h1-11H,(H2,24,25)(H,26,28)
• InChIKey: PELQOHWEEUIYKB-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 99.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.36
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?

The IUPAC name of 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (CID 53476407) is 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

What is the SMILES notation for 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?

The canonical SMILES for 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is Nc1cc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)o3)cc2)ccn1.

What is the InChIKey of 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?

The InChIKey is PELQOHWEEUIYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O2/c21-20(22,23)13-2-1-3-14(10-13)26-19-28-27-18(30-19)12-4-6-15(7-5-12)29-16-8-9-25-17(24)11-16/h1-11H,(H2,24,25)(H,26,28).

What are the key properties of 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?

5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 413.36 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 53476407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).