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

C27H29FN4O5 — CID 164993791

About 1-[(5R)-3-[2-[(2R,5S)-2-(4-fluoro-2-methylphenyl)-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-[(2R,5S)-2-(4-fluoro-2-methylphenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (PubChem CID 164993791) has the molecular formula C27H29FN4O5 and a molecular weight of 508.55 g/mol. Its IUPAC name is 1-[(5R)-3-[2-[(2R,5S)-2-(4-fluoro-2-methylphenyl)-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-[(2R,5S)-2-(4-fluoro-2-methylphenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
• PubChem CID: 164993791
• Molecular Formula: C27H29FN4O5
• Molecular Weight: 508.55 g/mol
• Exact Mass: 508.21
• IUPAC Name: 1-[(5R)-3-[2-[(2R,5S)-2-(4-fluoro-2-methylphenyl)-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](c3ccc(F)cc3C)CC[C@@H]2C)C1=O
• InChI: InChI=1S/C27H29FN4O5/c1-15-12-18(28)5-7-20(15)22-9-4-16(2)32(22)23(33)14-31-24(34)27(37-26(31)36)11-10-17-13-19(6-8-21(17)27)30-25(35)29-3/h5-8,12-13,16,22H,4,9-11,14H2,1-3H3,(H2,29,30,35)/t16-,22+,27+/m0/s1
• InChIKey: CYUYKRUARJYTMQ-DRWOTAJISA-N
• XLogP: 3.76
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.55
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-3-[2-[(2R,5S)-2-(4-fluoro-2-methylphenyl)-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-[(2R,5S)-2-(4-fluoro-2-methylphenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (CID 164993791) is 1-[(5R)-3-[2-[(2R,5S)-2-(4-fluoro-2-methylphenyl)-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-[(2R,5S)-2-(4-fluoro-2-methylphenyl)-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-[(2R,5S)-2-(4-fluoro-2-methylphenyl)-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](c3ccc(F)cc3C)CC[C@@H]2C)C1=O.

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

The InChIKey is CYUYKRUARJYTMQ-DRWOTAJISA-N. The full InChI is InChI=1S/C27H29FN4O5/c1-15-12-18(28)5-7-20(15)22-9-4-16(2)32(22)23(33)14-31-24(34)27(37-26(31)36)11-10-17-13-19(6-8-21(17)27)30-25(35)29-3/h5-8,12-13,16,22H,4,9-11,14H2,1-3H3,(H2,29,30,35)/t16-,22+,27+/m0/s1.

What are the key properties of 1-[(5R)-3-[2-[(2R,5S)-2-(4-fluoro-2-methylphenyl)-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-[(2R,5S)-2-(4-fluoro-2-methylphenyl)-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 508.55 g/mol, XLogP of 3.76, 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-[(2R,5S)-2-(4-fluoro-2-methylphenyl)-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 164993791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).