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

C26H28N6O5 — CID 71289319

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

tert-butyl (3S)-3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate (PubChem CID 71289319) has the molecular formula C26H28N6O5 and a molecular weight of 504.55 g/mol. Its IUPAC name is tert-butyl (3S)-3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (3S)-3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
• PubChem CID: 71289319
• Molecular Formula: C26H28N6O5
• Molecular Weight: 504.55 g/mol
• Exact Mass: 504.21
• IUPAC Name: tert-butyl (3S)-3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
• SMILES: Cc1ccc(-c2noc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2)cc1NC(=O)c1cnc2ccccn12
• InChI: InChI=1S/C26H28N6O5/c1-16-8-9-17(13-18(16)28-23(33)19-14-27-21-7-5-6-10-31(19)21)22-29-24(37-30-22)20-15-35-12-11-32(20)25(34)36-26(2,3)4/h5-10,13-14,20H,11-12,15H2,1-4H3,(H,28,33)/t20-/m0/s1
• InChIKey: MTXZJVDRCIELEE-FQEVSTJZSA-N
• XLogP: 4.25
• TPSA: 124.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.55
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of tert-butyl (3S)-3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate (CID 71289319) is tert-butyl (3S)-3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate.

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

The canonical SMILES for tert-butyl (3S)-3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate is Cc1ccc(-c2noc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2)cc1NC(=O)c1cnc2ccccn12.

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

The InChIKey is MTXZJVDRCIELEE-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H28N6O5/c1-16-8-9-17(13-18(16)28-23(33)19-14-27-21-7-5-6-10-31(19)21)22-29-24(37-30-22)20-15-35-12-11-32(20)25(34)36-26(2,3)4/h5-10,13-14,20H,11-12,15H2,1-4H3,(H,28,33)/t20-/m0/s1.

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

tert-butyl (3S)-3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate has a molecular weight of 504.55 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S)-3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate is sourced from PubChem (CID 71289319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).