1-[(5S)-3-[2-(7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea

C25H25FN4O5 — CID 146205382

About 1-[(5S)-3-[2-(7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea

1-[(5S)-3-[2-(7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (PubChem CID 146205382) has the molecular formula C25H25FN4O5 and a molecular weight of 480.50 g/mol. Its IUPAC name is 1-[(5S)-3-[2-(7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea.

Molecular Properties

• Compound Name: 1-[(5S)-3-[2-(7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
• PubChem CID: 146205382
• Molecular Formula: C25H25FN4O5
• Molecular Weight: 480.50 g/mol
• Exact Mass: 480.18
• IUPAC Name: 1-[(5S)-3-[2-(7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-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)N2CCCc3cc(F)ccc3C2)C1=O
• InChI: InChI=1S/C25H25FN4O5/c1-27-23(33)28-19-6-7-20-16(12-19)8-9-25(20)22(32)30(24(34)35-25)14-21(31)29-10-2-3-15-11-18(26)5-4-17(15)13-29/h4-7,11-12H,2-3,8-10,13-14H2,1H3,(H2,27,28,33)/t25-/m0/s1
• InChIKey: NQLKSOHNODZZNS-VWLOTQADSA-N
• XLogP: 2.67
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.50
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-3-[2-(7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?

The IUPAC name of 1-[(5S)-3-[2-(7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (CID 146205382) is 1-[(5S)-3-[2-(7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-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-[(5S)-3-[2-(7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?

The canonical SMILES for 1-[(5S)-3-[2-(7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-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)N2CCCc3cc(F)ccc3C2)C1=O.

What is the InChIKey of 1-[(5S)-3-[2-(7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?

The InChIKey is NQLKSOHNODZZNS-VWLOTQADSA-N. The full InChI is InChI=1S/C25H25FN4O5/c1-27-23(33)28-19-6-7-20-16(12-19)8-9-25(20)22(32)30(24(34)35-25)14-21(31)29-10-2-3-15-11-18(26)5-4-17(15)13-29/h4-7,11-12H,2-3,8-10,13-14H2,1H3,(H2,27,28,33)/t25-/m0/s1.

What are the key properties of 1-[(5S)-3-[2-(7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?

1-[(5S)-3-[2-(7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea has a molecular weight of 480.50 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5S)-3-[2-(7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea is sourced from PubChem (CID 146205382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).