methyl 5-[2-[4-methoxycarbonyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-5-yl]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate

C30H46N4O10 — CID 6709754

About methyl 5-[2-[4-methoxycarbonyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-5-yl]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate

methyl 5-[2-[4-methoxycarbonyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-5-yl]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate (PubChem CID 6709754) has the molecular formula C30H46N4O10 and a molecular weight of 622.72 g/mol. Its IUPAC name is methyl 5-[2-[4-methoxycarbonyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-5-yl]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[2-[4-methoxycarbonyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-5-yl]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate
• PubChem CID: 6709754
• Molecular Formula: C30H46N4O10
• Molecular Weight: 622.72 g/mol
• Exact Mass: 622.32
• IUPAC Name: methyl 5-[2-[4-methoxycarbonyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-5-yl]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate
• SMILES: COC(=O)c1nc(C(NC(=O)OC(C)(C)C)C(C)C)oc1CCc1oc(C(NC(=O)OC(C)(C)C)C(C)C)nc1C(=O)OC
• InChI: InChI=1S/C30H46N4O10/c1-15(2)19(33-27(37)43-29(5,6)7)23-31-21(25(35)39-11)17(41-23)13-14-18-22(26(36)40-12)32-24(42-18)20(16(3)4)34-28(38)44-30(8,9)10/h15-16,19-20H,13-14H2,1-12H3,(H,33,37)(H,34,38)
• InChIKey: CZZIRSZJCFAIQA-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 181.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	622.72
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[4-methoxycarbonyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-5-yl]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate?

The IUPAC name of methyl 5-[2-[4-methoxycarbonyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-5-yl]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate (CID 6709754) is methyl 5-[2-[4-methoxycarbonyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-5-yl]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate.

What is the SMILES notation for methyl 5-[2-[4-methoxycarbonyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-5-yl]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate?

The canonical SMILES for methyl 5-[2-[4-methoxycarbonyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-5-yl]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate is COC(=O)c1nc(C(NC(=O)OC(C)(C)C)C(C)C)oc1CCc1oc(C(NC(=O)OC(C)(C)C)C(C)C)nc1C(=O)OC.

What is the InChIKey of methyl 5-[2-[4-methoxycarbonyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-5-yl]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate?

The InChIKey is CZZIRSZJCFAIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N4O10/c1-15(2)19(33-27(37)43-29(5,6)7)23-31-21(25(35)39-11)17(41-23)13-14-18-22(26(36)40-12)32-24(42-18)20(16(3)4)34-28(38)44-30(8,9)10/h15-16,19-20H,13-14H2,1-12H3,(H,33,37)(H,34,38).

What are the key properties of methyl 5-[2-[4-methoxycarbonyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-5-yl]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate?

methyl 5-[2-[4-methoxycarbonyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-5-yl]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate has a molecular weight of 622.72 g/mol, XLogP of 5.46, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[2-[4-methoxycarbonyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-5-yl]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 6709754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).