methyl 1-methyl-5-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylate

C24H28N4O6 — CID 76552048

About methyl 1-methyl-5-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylate

methyl 1-methyl-5-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylate (PubChem CID 76552048) has the molecular formula C24H28N4O6 and a molecular weight of 468.51 g/mol. Its IUPAC name is methyl 1-methyl-5-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 1-methyl-5-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylate
• PubChem CID: 76552048
• Molecular Formula: C24H28N4O6
• Molecular Weight: 468.51 g/mol
• Exact Mass: 468.20
• IUPAC Name: methyl 1-methyl-5-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylate
• SMILES: COC(=O)c1cc(-c2nnc(C(C)(Cc3ccccc3)NC(=O)OC(C)(C)C)o2)c(=O)n(C)c1
• InChI: InChI=1S/C24H28N4O6/c1-23(2,3)34-22(31)25-24(4,13-15-10-8-7-9-11-15)21-27-26-18(33-21)17-12-16(20(30)32-6)14-28(5)19(17)29/h7-12,14H,13H2,1-6H3,(H,25,31)
• InChIKey: MFSWGKJJYCGYET-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 125.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.51
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylate?

The IUPAC name of methyl 1-methyl-5-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylate (CID 76552048) is methyl 1-methyl-5-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylate.

What is the SMILES notation for methyl 1-methyl-5-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylate?

The canonical SMILES for methyl 1-methyl-5-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylate is COC(=O)c1cc(-c2nnc(C(C)(Cc3ccccc3)NC(=O)OC(C)(C)C)o2)c(=O)n(C)c1.

What is the InChIKey of methyl 1-methyl-5-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylate?

The InChIKey is MFSWGKJJYCGYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O6/c1-23(2,3)34-22(31)25-24(4,13-15-10-8-7-9-11-15)21-27-26-18(33-21)17-12-16(20(30)32-6)14-28(5)19(17)29/h7-12,14H,13H2,1-6H3,(H,25,31).

What are the key properties of methyl 1-methyl-5-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylate?

methyl 1-methyl-5-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylate has a molecular weight of 468.51 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-methyl-5-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 76552048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).