1-[(5R)-3-[2-[(2S,5R)-2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea

C27H26F4N4O5 — CID 165087847

About 1-[(5R)-3-[2-[(2S,5R)-2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea

1-[(5R)-3-[2-[(2S,5R)-2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (PubChem CID 165087847) has the molecular formula C27H26F4N4O5 and a molecular weight of 562.52 g/mol. Its IUPAC name is 1-[(5R)-3-[2-[(2S,5R)-2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea.

Molecular Properties

• Compound Name: 1-[(5R)-3-[2-[(2S,5R)-2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
• PubChem CID: 165087847
• Molecular Formula: C27H26F4N4O5
• Molecular Weight: 562.52 g/mol
• Exact Mass: 562.18
• IUPAC Name: 1-[(5R)-3-[2-[(2S,5R)-2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
• SMILES: CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@H](C)CC[C@H]2c2ccc(F)cc2C(F)(F)F)C1=O
• InChI: InChI=1S/C27H26F4N4O5/c1-14-3-8-21(18-6-4-16(28)12-20(18)27(29,30)31)35(14)22(36)13-34-23(37)26(40-25(34)39)10-9-15-11-17(5-7-19(15)26)33-24(38)32-2/h4-7,11-12,14,21H,3,8-10,13H2,1-2H3,(H2,32,33,38)/t14-,21+,26-/m1/s1
• InChIKey: YIAITPSDVDYYOP-BHPRZEQRSA-N
• XLogP: 4.47
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.52
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-3-[2-[(2S,5R)-2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?

The IUPAC name of 1-[(5R)-3-[2-[(2S,5R)-2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (CID 165087847) is 1-[(5R)-3-[2-[(2S,5R)-2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea.

What is the SMILES notation for 1-[(5R)-3-[2-[(2S,5R)-2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?

The canonical SMILES for 1-[(5R)-3-[2-[(2S,5R)-2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea is CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@H](C)CC[C@H]2c2ccc(F)cc2C(F)(F)F)C1=O.

What is the InChIKey of 1-[(5R)-3-[2-[(2S,5R)-2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?

The InChIKey is YIAITPSDVDYYOP-BHPRZEQRSA-N. The full InChI is InChI=1S/C27H26F4N4O5/c1-14-3-8-21(18-6-4-16(28)12-20(18)27(29,30)31)35(14)22(36)13-34-23(37)26(40-25(34)39)10-9-15-11-17(5-7-19(15)26)33-24(38)32-2/h4-7,11-12,14,21H,3,8-10,13H2,1-2H3,(H2,32,33,38)/t14-,21+,26-/m1/s1.

What are the key properties of 1-[(5R)-3-[2-[(2S,5R)-2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?

1-[(5R)-3-[2-[(2S,5R)-2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea has a molecular weight of 562.52 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5R)-3-[2-[(2S,5R)-2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea is sourced from PubChem (CID 165087847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).