2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-1-ol

C20H14Cl3F3N4O3 — CID 46235455

About 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-1-ol

2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-1-ol (PubChem CID 46235455) has the molecular formula C20H14Cl3F3N4O3 and a molecular weight of 521.71 g/mol. Its IUPAC name is 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-1-ol.

Molecular Properties

• Compound Name: 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-1-ol
• PubChem CID: 46235455
• Molecular Formula: C20H14Cl3F3N4O3
• Molecular Weight: 521.71 g/mol
• Exact Mass: 520.01
• IUPAC Name: 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-1-ol
• SMILES: CC(C)(CO)Oc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
• InChI: InChI=1S/C20H14Cl3F3N4O3/c1-19(2,8-31)32-15-5-11(21)10(4-12(15)22)16-28-18(33-29-16)14-7-30-6-9(20(24,25)26)3-13(23)17(30)27-14/h3-7,31H,8H2,1-2H3
• InChIKey: AJZWBCGRBWBKJJ-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 85.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.71
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-1-ol?

The IUPAC name of 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-1-ol (CID 46235455) is 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-1-ol.

What is the SMILES notation for 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-1-ol?

The canonical SMILES for 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-1-ol is CC(C)(CO)Oc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl.

What is the InChIKey of 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-1-ol?

The InChIKey is AJZWBCGRBWBKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl3F3N4O3/c1-19(2,8-31)32-15-5-11(21)10(4-12(15)22)16-28-18(33-29-16)14-7-30-6-9(20(24,25)26)3-13(23)17(30)27-14/h3-7,31H,8H2,1-2H3.

What are the key properties of 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-1-ol?

2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-1-ol has a molecular weight of 521.71 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-1-ol is sourced from PubChem (CID 46235455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).