2-[(3R)-6-(2,2-dimethylhydrazinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

C25H26F4N4O4 — CID 166938628

About 2-[(3R)-6-(2,2-dimethylhydrazinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

2-[(3R)-6-(2,2-dimethylhydrazinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (PubChem CID 166938628) has the molecular formula C25H26F4N4O4 and a molecular weight of 522.50 g/mol. Its IUPAC name is 2-[(3R)-6-(2,2-dimethylhydrazinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(3R)-6-(2,2-dimethylhydrazinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
• PubChem CID: 166938628
• Molecular Formula: C25H26F4N4O4
• Molecular Weight: 522.50 g/mol
• Exact Mass: 522.19
• IUPAC Name: 2-[(3R)-6-(2,2-dimethylhydrazinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
• SMILES: C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(NN(C)C)ccc32)C1=O)C(F)(F)F
• InChI: InChI=1S/C25H26F4N4O4/c1-15(25(27,28)29)32(13-16-4-6-18(26)7-5-16)21(34)14-33-22(35)24(37-23(33)36)11-10-17-12-19(30-31(2)3)8-9-20(17)24/h4-9,12,15,30H,10-11,13-14H2,1-3H3/t15-,24+/m0/s1
• InChIKey: KMBOBIFGBCFSTP-IZHWHUGBSA-N
• XLogP: 3.81
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.50
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-6-(2,2-dimethylhydrazinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?

The IUPAC name of 2-[(3R)-6-(2,2-dimethylhydrazinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (CID 166938628) is 2-[(3R)-6-(2,2-dimethylhydrazinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

What is the SMILES notation for 2-[(3R)-6-(2,2-dimethylhydrazinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?

The canonical SMILES for 2-[(3R)-6-(2,2-dimethylhydrazinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(NN(C)C)ccc32)C1=O)C(F)(F)F.

What is the InChIKey of 2-[(3R)-6-(2,2-dimethylhydrazinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?

The InChIKey is KMBOBIFGBCFSTP-IZHWHUGBSA-N. The full InChI is InChI=1S/C25H26F4N4O4/c1-15(25(27,28)29)32(13-16-4-6-18(26)7-5-16)21(34)14-33-22(35)24(37-23(33)36)11-10-17-12-19(30-31(2)3)8-9-20(17)24/h4-9,12,15,30H,10-11,13-14H2,1-3H3/t15-,24+/m0/s1.

What are the key properties of 2-[(3R)-6-(2,2-dimethylhydrazinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?

2-[(3R)-6-(2,2-dimethylhydrazinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide has a molecular weight of 522.50 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-6-(2,2-dimethylhydrazinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is sourced from PubChem (CID 166938628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).