tert-butyl 3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate

C26H30N6O4 — CID 71292649

About tert-butyl 3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate

tert-butyl 3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate (PubChem CID 71292649) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is tert-butyl 3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate
• PubChem CID: 71292649
• Molecular Formula: C26H30N6O4
• Molecular Weight: 490.56 g/mol
• Exact Mass: 490.23
• IUPAC Name: tert-butyl 3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate
• SMILES: Cc1ccc(C2N=C(C3CCN(C(=O)OC(C)(C)C)C3)ON2)cc1NC(=O)c1cnc2ccccn12
• InChI: InChI=1S/C26H30N6O4/c1-16-8-9-17(13-19(16)28-23(33)20-14-27-21-7-5-6-11-32(20)21)22-29-24(36-30-22)18-10-12-31(15-18)25(34)35-26(2,3)4/h5-9,11,13-14,18,22,30H,10,12,15H2,1-4H3,(H,28,33)
• InChIKey: WZQVULZYBKIAGB-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 109.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.56
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl 3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate (CID 71292649) is tert-butyl 3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl 3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl 3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate is Cc1ccc(C2N=C(C3CCN(C(=O)OC(C)(C)C)C3)ON2)cc1NC(=O)c1cnc2ccccn12.

What is the InChIKey of tert-butyl 3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate?

The InChIKey is WZQVULZYBKIAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-16-8-9-17(13-19(16)28-23(33)20-14-27-21-7-5-6-11-32(20)21)22-29-24(36-30-22)18-10-12-31(15-18)25(34)35-26(2,3)4/h5-9,11,13-14,18,22,30H,10,12,15H2,1-4H3,(H,28,33).

What are the key properties of tert-butyl 3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate?

tert-butyl 3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate has a molecular weight of 490.56 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 71292649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).