(5S)-1-[2,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one

C24H19F5N4O3 — CID 145423038

About (5S)-1-[2,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one

(5S)-1-[2,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one (PubChem CID 145423038) has the molecular formula C24H19F5N4O3 and a molecular weight of 506.43 g/mol. Its IUPAC name is (5S)-1-[2,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5S)-1-[2,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one
• PubChem CID: 145423038
• Molecular Formula: C24H19F5N4O3
• Molecular Weight: 506.43 g/mol
• Exact Mass: 506.14
• IUPAC Name: (5S)-1-[2,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one
• SMILES: O=C(C[C@@H]1CCC(=O)N1c1cc(F)c(-c2noc(C(F)(F)F)n2)cc1F)N1CCCc2ccccc21
• InChI: InChI=1S/C24H19F5N4O3/c25-16-12-19(17(26)11-15(16)22-30-23(36-31-22)24(27,28)29)33-14(7-8-20(33)34)10-21(35)32-9-3-5-13-4-1-2-6-18(13)32/h1-2,4,6,11-12,14H,3,5,7-10H2/t14-/m0/s1
• InChIKey: PUYFDLXGXJWEQR-AWEZNQCLSA-N
• XLogP: 4.90
• TPSA: 79.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.43
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[2,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one?

The IUPAC name of (5S)-1-[2,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one (CID 145423038) is (5S)-1-[2,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one.

What is the SMILES notation for (5S)-1-[2,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one?

The canonical SMILES for (5S)-1-[2,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one is O=C(C[C@@H]1CCC(=O)N1c1cc(F)c(-c2noc(C(F)(F)F)n2)cc1F)N1CCCc2ccccc21.

What is the InChIKey of (5S)-1-[2,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one?

The InChIKey is PUYFDLXGXJWEQR-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H19F5N4O3/c25-16-12-19(17(26)11-15(16)22-30-23(36-31-22)24(27,28)29)33-14(7-8-20(33)34)10-21(35)32-9-3-5-13-4-1-2-6-18(13)32/h1-2,4,6,11-12,14H,3,5,7-10H2/t14-/m0/s1.

What are the key properties of (5S)-1-[2,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one?

(5S)-1-[2,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 506.43 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-1-[2,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 145423038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).