5-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxylic acid

C23H26N4O6 — CID 123291245

About 5-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxylic acid

5-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 123291245) has the molecular formula C23H26N4O6 and a molecular weight of 454.48 g/mol. Its IUPAC name is 5-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxylic acid
• PubChem CID: 123291245
• Molecular Formula: C23H26N4O6
• Molecular Weight: 454.48 g/mol
• Exact Mass: 454.19
• IUPAC Name: 5-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxylic acid
• SMILES: CC(C)(C)OC(=O)NC(C)(Cc1ccccc1)c1nnc(Cc2cc(C(=O)O)c[nH]c2=O)o1
• InChI: InChI=1S/C23H26N4O6/c1-22(2,3)33-21(31)25-23(4,12-14-8-6-5-7-9-14)20-27-26-17(32-20)11-15-10-16(19(29)30)13-24-18(15)28/h5-10,13H,11-12H2,1-4H3,(H,24,28)(H,25,31)(H,29,30)
• InChIKey: BIPRFLHWLDDUCD-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 147.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.48
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxylic acid?

The IUPAC name of 5-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxylic acid (CID 123291245) is 5-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxylic acid.

What is the SMILES notation for 5-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxylic acid?

The canonical SMILES for 5-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxylic acid is CC(C)(C)OC(=O)NC(C)(Cc1ccccc1)c1nnc(Cc2cc(C(=O)O)c[nH]c2=O)o1.

What is the InChIKey of 5-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxylic acid?

The InChIKey is BIPRFLHWLDDUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6/c1-22(2,3)33-21(31)25-23(4,12-14-8-6-5-7-9-14)20-27-26-17(32-20)11-15-10-16(19(29)30)13-24-18(15)28/h5-10,13H,11-12H2,1-4H3,(H,24,28)(H,25,31)(H,29,30).

What are the key properties of 5-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxylic acid?

5-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 454.48 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 123291245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).