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

C19H12Cl3F3N4O3 — CID 59377139

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

(2S)-2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol (PubChem CID 59377139) has the molecular formula C19H12Cl3F3N4O3 and a molecular weight of 507.68 g/mol. Its IUPAC name is (2S)-2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol.

Molecular Properties

• Compound Name: (2S)-2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol
• PubChem CID: 59377139
• Molecular Formula: C19H12Cl3F3N4O3
• Molecular Weight: 507.68 g/mol
• Exact Mass: 505.99
• IUPAC Name: (2S)-2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol
• SMILES: C[C@@H](CO)Oc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
• InChI: InChI=1S/C19H12Cl3F3N4O3/c1-8(7-30)31-15-4-11(20)10(3-12(15)21)16-27-18(32-28-16)14-6-29-5-9(19(23,24)25)2-13(22)17(29)26-14/h2-6,8,30H,7H2,1H3/t8-/m0/s1
• InChIKey: AGJZSDPASPXGHR-QMMMGPOBSA-N
• XLogP: 5.79
• TPSA: 85.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.68
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2S)-2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol (CID 59377139) is (2S)-2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol.

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

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

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

The InChIKey is AGJZSDPASPXGHR-QMMMGPOBSA-N. The full InChI is InChI=1S/C19H12Cl3F3N4O3/c1-8(7-30)31-15-4-11(20)10(3-12(15)21)16-27-18(32-28-16)14-6-29-5-9(19(23,24)25)2-13(22)17(29)26-14/h2-6,8,30H,7H2,1H3/t8-/m0/s1.

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

(2S)-2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol has a molecular weight of 507.68 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol is sourced from PubChem (CID 59377139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).