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

C29H33FN4O5 — CID 164706833

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

1-[3-[2-[(2S,5S)-2-(4-fluoro-2-propan-2-ylphenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (PubChem CID 164706833) has the molecular formula C29H33FN4O5 and a molecular weight of 536.60 g/mol. Its IUPAC name is 1-[3-[2-[(2S,5S)-2-(4-fluoro-2-propan-2-ylphenyl)-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-[3-[2-[(2S,5S)-2-(4-fluoro-2-propan-2-ylphenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
• PubChem CID: 164706833
• Molecular Formula: C29H33FN4O5
• Molecular Weight: 536.60 g/mol
• Exact Mass: 536.24
• IUPAC Name: 1-[3-[2-[(2S,5S)-2-(4-fluoro-2-propan-2-ylphenyl)-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)CCC21OC(=O)N(CC(=O)N2[C@@H](C)CC[C@H]2c2ccc(F)cc2C(C)C)C1=O
• InChI: InChI=1S/C29H33FN4O5/c1-16(2)22-14-19(30)6-8-21(22)24-10-5-17(3)34(24)25(35)15-33-26(36)29(39-28(33)38)12-11-18-13-20(7-9-23(18)29)32-27(37)31-4/h6-9,13-14,16-17,24H,5,10-12,15H2,1-4H3,(H2,31,32,37)/t17-,24-,29?/m0/s1
• InChIKey: DOYNTKRDSYZITP-HPGPDYRBSA-N
• XLogP: 4.57
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.60
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(2S,5S)-2-(4-fluoro-2-propan-2-ylphenyl)-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-[3-[2-[(2S,5S)-2-(4-fluoro-2-propan-2-ylphenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (CID 164706833) is 1-[3-[2-[(2S,5S)-2-(4-fluoro-2-propan-2-ylphenyl)-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-[3-[2-[(2S,5S)-2-(4-fluoro-2-propan-2-ylphenyl)-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-[3-[2-[(2S,5S)-2-(4-fluoro-2-propan-2-ylphenyl)-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)CCC21OC(=O)N(CC(=O)N2[C@@H](C)CC[C@H]2c2ccc(F)cc2C(C)C)C1=O.

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

The InChIKey is DOYNTKRDSYZITP-HPGPDYRBSA-N. The full InChI is InChI=1S/C29H33FN4O5/c1-16(2)22-14-19(30)6-8-21(22)24-10-5-17(3)34(24)25(35)15-33-26(36)29(39-28(33)38)12-11-18-13-20(7-9-23(18)29)32-27(37)31-4/h6-9,13-14,16-17,24H,5,10-12,15H2,1-4H3,(H2,31,32,37)/t17-,24-,29?/m0/s1.

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

1-[3-[2-[(2S,5S)-2-(4-fluoro-2-propan-2-ylphenyl)-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 536.60 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-[(2S,5S)-2-(4-fluoro-2-propan-2-ylphenyl)-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 164706833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).