3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid

C19H12ClF3N4O3 — CID 59377374

About 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid

3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid (PubChem CID 59377374) has the molecular formula C19H12ClF3N4O3 and a molecular weight of 436.78 g/mol. Its IUPAC name is 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid.

Molecular Properties

• Compound Name: 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
• PubChem CID: 59377374
• Molecular Formula: C19H12ClF3N4O3
• Molecular Weight: 436.78 g/mol
• Exact Mass: 436.06
• IUPAC Name: 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
• SMILES: O=C(O)CCc1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1
• InChI: InChI=1S/C19H12ClF3N4O3/c20-13-7-12(19(21,22)23)8-27-9-14(24-17(13)27)18-25-16(26-30-18)11-4-1-10(2-5-11)3-6-15(28)29/h1-2,4-5,7-9H,3,6H2,(H,28,29)
• InChIKey: VHDYHMWSNGHDRT-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 93.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.78
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid?

The IUPAC name of 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid (CID 59377374) is 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid.

What is the SMILES notation for 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid?

The canonical SMILES for 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid is O=C(O)CCc1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1.

What is the InChIKey of 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid?

The InChIKey is VHDYHMWSNGHDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4O3/c20-13-7-12(19(21,22)23)8-27-9-14(24-17(13)27)18-25-16(26-30-18)11-4-1-10(2-5-11)3-6-15(28)29/h1-2,4-5,7-9H,3,6H2,(H,28,29).

What are the key properties of 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid?

3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid has a molecular weight of 436.78 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid is sourced from PubChem (CID 59377374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).