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

C21H13Cl3F3N5O3 — CID 129117578

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

(5S)-5-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]pyrrolidin-2-one (PubChem CID 129117578) has the molecular formula C21H13Cl3F3N5O3 and a molecular weight of 546.72 g/mol. Its IUPAC name is (5S)-5-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5S)-5-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]pyrrolidin-2-one
• PubChem CID: 129117578
• Molecular Formula: C21H13Cl3F3N5O3
• Molecular Weight: 546.72 g/mol
• Exact Mass: 545.00
• IUPAC Name: (5S)-5-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]pyrrolidin-2-one
• SMILES: O=C1CC[C@@H](COc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)N1
• InChI: InChI=1S/C21H13Cl3F3N5O3/c22-12-5-16(34-8-10-1-2-17(33)28-10)13(23)4-11(12)18-30-20(35-31-18)15-7-32-6-9(21(25,26)27)3-14(24)19(32)29-15/h3-7,10H,1-2,8H2,(H,28,33)/t10-/m0/s1
• InChIKey: QHTMHGZVHWQCBB-JTQLQIEISA-N
• XLogP: 5.69
• TPSA: 94.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.72
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (5S)-5-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]pyrrolidin-2-one (CID 129117578) is (5S)-5-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]pyrrolidin-2-one.

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

The canonical SMILES for (5S)-5-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]pyrrolidin-2-one is O=C1CC[C@@H](COc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)N1.

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

The InChIKey is QHTMHGZVHWQCBB-JTQLQIEISA-N. The full InChI is InChI=1S/C21H13Cl3F3N5O3/c22-12-5-16(34-8-10-1-2-17(33)28-10)13(23)4-11(12)18-30-20(35-31-18)15-7-32-6-9(21(25,26)27)3-14(24)19(32)29-15/h3-7,10H,1-2,8H2,(H,28,33)/t10-/m0/s1.

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

(5S)-5-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]pyrrolidin-2-one has a molecular weight of 546.72 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]pyrrolidin-2-one is sourced from PubChem (CID 129117578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).