2-[3-fluoro-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole

C19H13F4N3O4 — CID 91100556

About 2-[3-fluoro-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole

2-[3-fluoro-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 91100556) has the molecular formula C19H13F4N3O4 and a molecular weight of 423.32 g/mol. Its IUPAC name is 2-[3-fluoro-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[3-fluoro-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole
• PubChem CID: 91100556
• Molecular Formula: C19H13F4N3O4
• Molecular Weight: 423.32 g/mol
• Exact Mass: 423.08
• IUPAC Name: 2-[3-fluoro-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole
• SMILES: Cc1nnc(-c2cc(F)cc(OC3=CC(c4ccc(OC(F)(F)F)cc4)ON3)c2)o1
• InChI: InChI=1S/C19H13F4N3O4/c1-10-24-25-18(27-10)12-6-13(20)8-15(7-12)28-17-9-16(30-26-17)11-2-4-14(5-3-11)29-19(21,22)23/h2-9,16,26H,1H3
• InChIKey: GZTNZQCOAMGWET-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 78.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.32
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole?

The IUPAC name of 2-[3-fluoro-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole (CID 91100556) is 2-[3-fluoro-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole.

What is the SMILES notation for 2-[3-fluoro-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole?

The canonical SMILES for 2-[3-fluoro-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2cc(F)cc(OC3=CC(c4ccc(OC(F)(F)F)cc4)ON3)c2)o1.

What is the InChIKey of 2-[3-fluoro-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole?

The InChIKey is GZTNZQCOAMGWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O4/c1-10-24-25-18(27-10)12-6-13(20)8-15(7-12)28-17-9-16(30-26-17)11-2-4-14(5-3-11)29-19(21,22)23/h2-9,16,26H,1H3.

What are the key properties of 2-[3-fluoro-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole?

2-[3-fluoro-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 423.32 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-fluoro-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 91100556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).