Tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate

C₂₄H₃₃N₅O₃ — CID 142520791

About Tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate

Tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate (PubChem CID 142520791) has the molecular formula C₂₄H₃₃N₅O₃ and a molecular weight of 439.56 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate.

Molecular Properties

• Compound Name: Tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate
• PubChem CID: 142520791
• Molecular Formula: C₂₄H₃₃N₅O₃
• Molecular Weight: 439.56 g/mol
• Exact Mass: 439.26
• IUPAC Name: tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate
• SMILES: C[C@@H]1C[C@H](c2noc(-c3ccc4c(c3)N(C3CCC3)NC4)n2)CCN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C24H33N5O3/c1-15-12-16(10-11-28(15)23(30)31-24(2,3)4)21-26-22(32-27-21)17-8-9-18-14-25-29(20(18)13-17)19-6-5-7-19/h8-9,13,15-16,19,25H,5-7,10-12,14H2,1-4H3/t15-,16-/m1/s1
• InChIKey: KGSWCJDJBGZXAS-HZPDHXFCSA-N
• XLogP: 4.62
• TPSA: 83.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.56
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of Tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate?

The IUPAC name of Tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate (CID 142520791) is tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate.

What is the SMILES notation for Tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate?

The canonical SMILES for Tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate is C[C@@H]1C[C@H](c2noc(-c3ccc4c(c3)N(C3CCC3)NC4)n2)CCN1C(=O)OC(C)(C)C.

What is the InChIKey of Tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate?

The InChIKey is KGSWCJDJBGZXAS-HZPDHXFCSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-15-12-16(10-11-28(15)23(30)31-24(2,3)4)21-26-22(32-27-21)17-8-9-18-14-25-29(20(18)13-17)19-6-5-7-19/h8-9,13,15-16,19,25H,5-7,10-12,14H2,1-4H3/t15-,16-/m1/s1.

What are the key properties of Tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate?

Tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate has a molecular weight of 439.56 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl (2R,4R)-4-[5-(1-cyclobutyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 142520791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142520791 — identifiers, structure, computed properties (public domain)

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