1-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol

C18H12Cl2F3N5O3 — CID 142473782

About 1-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol

1-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol (PubChem CID 142473782) has the molecular formula C18H12Cl2F3N5O3 and a molecular weight of 474.23 g/mol. Its IUPAC name is 1-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol
• PubChem CID: 142473782
• Molecular Formula: C18H12Cl2F3N5O3
• Molecular Weight: 474.23 g/mol
• Exact Mass: 473.03
• IUPAC Name: 1-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol
• SMILES: CC(O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)ncc4n3)n2)cc1Cl
• InChI: InChI=1S/C18H12Cl2F3N5O3/c1-8(29)7-30-13-3-10(19)9(2-11(13)20)16-26-17(31-27-16)12-5-28-6-14(18(21,22)23)24-4-15(28)25-12/h2-6,8,29H,7H2,1H3
• InChIKey: JAQUUAATKJSXRW-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 98.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.23
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol (CID 142473782) is 1-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol.

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

The canonical SMILES for 1-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol is CC(O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)ncc4n3)n2)cc1Cl.

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

The InChIKey is JAQUUAATKJSXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F3N5O3/c1-8(29)7-30-13-3-10(19)9(2-11(13)20)16-26-17(31-27-16)12-5-28-6-14(18(21,22)23)24-4-15(28)25-12/h2-6,8,29H,7H2,1H3.

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

1-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol has a molecular weight of 474.23 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 142473782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).