N-[4-methyl-3-(trifluoromethyl)phenyl]-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine

C22H18F3N5O — CID 23644895

About N-[4-methyl-3-(trifluoromethyl)phenyl]-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine

N-[4-methyl-3-(trifluoromethyl)phenyl]-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (PubChem CID 23644895) has the molecular formula C22H18F3N5O and a molecular weight of 425.41 g/mol. Its IUPAC name is N-[4-methyl-3-(trifluoromethyl)phenyl]-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: N-[4-methyl-3-(trifluoromethyl)phenyl]-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
• PubChem CID: 23644895
• Molecular Formula: C22H18F3N5O
• Molecular Weight: 425.41 g/mol
• Exact Mass: 425.15
• IUPAC Name: N-[4-methyl-3-(trifluoromethyl)phenyl]-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
• SMILES: Cc1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1C(F)(F)F
• InChI: InChI=1S/C22H18F3N5O/c1-14-4-6-16(13-18(14)22(23,24)25)28-21-30-29-20(31-21)17-3-2-10-27-19(17)7-5-15-8-11-26-12-9-15/h2-4,6,8-13H,5,7H2,1H3,(H,28,30)
• InChIKey: TXKJCQVOEAMXER-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 76.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.41
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (CID 23644895) is N-[4-methyl-3-(trifluoromethyl)phenyl]-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.

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

The canonical SMILES for N-[4-methyl-3-(trifluoromethyl)phenyl]-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is Cc1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1C(F)(F)F.

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

The InChIKey is TXKJCQVOEAMXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O/c1-14-4-6-16(13-18(14)22(23,24)25)28-21-30-29-20(31-21)17-3-2-10-27-19(17)7-5-15-8-11-26-12-9-15/h2-4,6,8-13H,5,7H2,1H3,(H,28,30).

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

N-[4-methyl-3-(trifluoromethyl)phenyl]-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 425.41 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-3-(trifluoromethyl)phenyl]-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 23644895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).