tert-butyl 2-[5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxo-1H-pyridine-4-carboxylate

C26H32N4O6 — CID 67514232

About tert-butyl 2-[5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxo-1H-pyridine-4-carboxylate

tert-butyl 2-[5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxo-1H-pyridine-4-carboxylate (PubChem CID 67514232) has the molecular formula C26H32N4O6 and a molecular weight of 496.56 g/mol. Its IUPAC name is tert-butyl 2-[5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxo-1H-pyridine-4-carboxylate
• PubChem CID: 67514232
• Molecular Formula: C26H32N4O6
• Molecular Weight: 496.56 g/mol
• Exact Mass: 496.23
• IUPAC Name: tert-butyl 2-[5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxo-1H-pyridine-4-carboxylate
• SMILES: CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)c1nnc(-c2cc(C(=O)OC(C)(C)C)cc(=O)[nH]2)o1
• InChI: InChI=1S/C26H32N4O6/c1-24(2,3)35-21(32)17-13-18(27-19(31)14-17)20-29-30-22(34-20)26(7,15-16-11-9-8-10-12-16)28-23(33)36-25(4,5)6/h8-14H,15H2,1-7H3,(H,27,31)(H,28,33)/t26-/m0/s1
• InChIKey: JGGBFISSGAGVJX-SANMLTNESA-N
• XLogP: 4.36
• TPSA: 136.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.56
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxo-1H-pyridine-4-carboxylate?

The IUPAC name of tert-butyl 2-[5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxo-1H-pyridine-4-carboxylate (CID 67514232) is tert-butyl 2-[5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxo-1H-pyridine-4-carboxylate.

What is the SMILES notation for tert-butyl 2-[5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxo-1H-pyridine-4-carboxylate?

The canonical SMILES for tert-butyl 2-[5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxo-1H-pyridine-4-carboxylate is CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)c1nnc(-c2cc(C(=O)OC(C)(C)C)cc(=O)[nH]2)o1.

What is the InChIKey of tert-butyl 2-[5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxo-1H-pyridine-4-carboxylate?

The InChIKey is JGGBFISSGAGVJX-SANMLTNESA-N. The full InChI is InChI=1S/C26H32N4O6/c1-24(2,3)35-21(32)17-13-18(27-19(31)14-17)20-29-30-22(34-20)26(7,15-16-11-9-8-10-12-16)28-23(33)36-25(4,5)6/h8-14H,15H2,1-7H3,(H,27,31)(H,28,33)/t26-/m0/s1.

What are the key properties of tert-butyl 2-[5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxo-1H-pyridine-4-carboxylate?

tert-butyl 2-[5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxo-1H-pyridine-4-carboxylate has a molecular weight of 496.56 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 67514232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).