(5-methyl-2-phenylphenyl)-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone

C26H20F3N3O3 — CID 90422633

About (5-methyl-2-phenylphenyl)-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone

(5-methyl-2-phenylphenyl)-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (PubChem CID 90422633) has the molecular formula C26H20F3N3O3 and a molecular weight of 479.46 g/mol. Its IUPAC name is (5-methyl-2-phenylphenyl)-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-methyl-2-phenylphenyl)-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
• PubChem CID: 90422633
• Molecular Formula: C26H20F3N3O3
• Molecular Weight: 479.46 g/mol
• Exact Mass: 479.15
• IUPAC Name: (5-methyl-2-phenylphenyl)-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
• SMILES: Cc1ccc(-c2ccccc2)c(C(=O)N2CCC2c2nc(-c3ccccc3OC(F)(F)F)no2)c1
• InChI: InChI=1S/C26H20F3N3O3/c1-16-11-12-18(17-7-3-2-4-8-17)20(15-16)25(33)32-14-13-21(32)24-30-23(31-35-24)19-9-5-6-10-22(19)34-26(27,28)29/h2-12,15,21H,13-14H2,1H3
• InChIKey: YOMMAMLAEKBFAP-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.46
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenylphenyl)-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?

The IUPAC name of (5-methyl-2-phenylphenyl)-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (CID 90422633) is (5-methyl-2-phenylphenyl)-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.

What is the SMILES notation for (5-methyl-2-phenylphenyl)-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?

The canonical SMILES for (5-methyl-2-phenylphenyl)-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is Cc1ccc(-c2ccccc2)c(C(=O)N2CCC2c2nc(-c3ccccc3OC(F)(F)F)no2)c1.

What is the InChIKey of (5-methyl-2-phenylphenyl)-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?

The InChIKey is YOMMAMLAEKBFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N3O3/c1-16-11-12-18(17-7-3-2-4-8-17)20(15-16)25(33)32-14-13-21(32)24-30-23(31-35-24)19-9-5-6-10-22(19)34-26(27,28)29/h2-12,15,21H,13-14H2,1H3.

What are the key properties of (5-methyl-2-phenylphenyl)-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?

(5-methyl-2-phenylphenyl)-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone has a molecular weight of 479.46 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-2-phenylphenyl)-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 90422633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).