tert-butyl 1-[[5-[2-butoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]methylcarbamoyl]pyrrolidine-2-carboxylate

C25H43N5O7 — CID 134345180

About tert-butyl 1-[[5-[2-butoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]methylcarbamoyl]pyrrolidine-2-carboxylate

tert-butyl 1-[[5-[2-butoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]methylcarbamoyl]pyrrolidine-2-carboxylate (PubChem CID 134345180) has the molecular formula C25H43N5O7 and a molecular weight of 525.65 g/mol. Its IUPAC name is tert-butyl 1-[[5-[2-butoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]methylcarbamoyl]pyrrolidine-2-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 1-[[5-[2-butoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]methylcarbamoyl]pyrrolidine-2-carboxylate
• PubChem CID: 134345180
• Molecular Formula: C25H43N5O7
• Molecular Weight: 525.65 g/mol
• Exact Mass: 525.32
• IUPAC Name: tert-butyl 1-[[5-[2-butoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]methylcarbamoyl]pyrrolidine-2-carboxylate
• SMILES: CCCCOC(C)C(NC(=O)OC(C)(C)C)c1nnc(CNC(=O)N2CCCC2C(=O)OC(C)(C)C)o1
• InChI: InChI=1S/C25H43N5O7/c1-9-10-14-34-16(2)19(27-23(33)37-25(6,7)8)20-29-28-18(35-20)15-26-22(32)30-13-11-12-17(30)21(31)36-24(3,4)5/h16-17,19H,9-15H2,1-8H3,(H,26,32)(H,27,33)
• InChIKey: CWSGMPGHTZWYGE-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 145.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.65
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[[5-[2-butoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]methylcarbamoyl]pyrrolidine-2-carboxylate?

The IUPAC name of tert-butyl 1-[[5-[2-butoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]methylcarbamoyl]pyrrolidine-2-carboxylate (CID 134345180) is tert-butyl 1-[[5-[2-butoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]methylcarbamoyl]pyrrolidine-2-carboxylate.

What is the SMILES notation for tert-butyl 1-[[5-[2-butoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]methylcarbamoyl]pyrrolidine-2-carboxylate?

The canonical SMILES for tert-butyl 1-[[5-[2-butoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]methylcarbamoyl]pyrrolidine-2-carboxylate is CCCCOC(C)C(NC(=O)OC(C)(C)C)c1nnc(CNC(=O)N2CCCC2C(=O)OC(C)(C)C)o1.

What is the InChIKey of tert-butyl 1-[[5-[2-butoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]methylcarbamoyl]pyrrolidine-2-carboxylate?

The InChIKey is CWSGMPGHTZWYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N5O7/c1-9-10-14-34-16(2)19(27-23(33)37-25(6,7)8)20-29-28-18(35-20)15-26-22(32)30-13-11-12-17(30)21(31)36-24(3,4)5/h16-17,19H,9-15H2,1-8H3,(H,26,32)(H,27,33).

What are the key properties of tert-butyl 1-[[5-[2-butoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]methylcarbamoyl]pyrrolidine-2-carboxylate?

tert-butyl 1-[[5-[2-butoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]methylcarbamoyl]pyrrolidine-2-carboxylate has a molecular weight of 525.65 g/mol, XLogP of 3.86, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 1-[[5-[2-butoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]methylcarbamoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 134345180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).