(10bR)-1'-benzyl-2-(5-methylfuran-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

C26H27N3O2 — CID 7493943

About (10bR)-1'-benzyl-2-(5-methylfuran-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

(10bR)-1'-benzyl-2-(5-methylfuran-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] (PubChem CID 7493943) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is (10bR)-1'-benzyl-2-(5-methylfuran-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].

Molecular Properties

• Compound Name: (10bR)-1'-benzyl-2-(5-methylfuran-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
• PubChem CID: 7493943
• Molecular Formula: C26H27N3O2
• Molecular Weight: 413.52 g/mol
• Exact Mass: 413.21
• IUPAC Name: (10bR)-1'-benzyl-2-(5-methylfuran-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
• SMILES: Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)o1
• InChI: InChI=1S/C26H27N3O2/c1-19-11-12-25(30-19)22-17-23-21-9-5-6-10-24(21)31-26(29(23)27-22)13-15-28(16-14-26)18-20-7-3-2-4-8-20/h2-12,23H,13-18H2,1H3/t23-/m1/s1
• InChIKey: BTNJQQQLFMHFSK-HSZRJFAPSA-N
• XLogP: 5.12
• TPSA: 41.21 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.52
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (10bR)-1'-benzyl-2-(5-methylfuran-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?

The IUPAC name of (10bR)-1'-benzyl-2-(5-methylfuran-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] (CID 7493943) is (10bR)-1'-benzyl-2-(5-methylfuran-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].

What is the SMILES notation for (10bR)-1'-benzyl-2-(5-methylfuran-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?

The canonical SMILES for (10bR)-1'-benzyl-2-(5-methylfuran-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] is Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)o1.

What is the InChIKey of (10bR)-1'-benzyl-2-(5-methylfuran-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?

The InChIKey is BTNJQQQLFMHFSK-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-19-11-12-25(30-19)22-17-23-21-9-5-6-10-24(21)31-26(29(23)27-22)13-15-28(16-14-26)18-20-7-3-2-4-8-20/h2-12,23H,13-18H2,1H3/t23-/m1/s1.

What are the key properties of (10bR)-1'-benzyl-2-(5-methylfuran-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?

(10bR)-1'-benzyl-2-(5-methylfuran-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] has a molecular weight of 413.52 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (10bR)-1'-benzyl-2-(5-methylfuran-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] is sourced from PubChem (CID 7493943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).