methyl 2-[2-[(1S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate

C18H26N4O6 — CID 122228769

About methyl 2-[2-[(1S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate

methyl 2-[2-[(1S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate (PubChem CID 122228769) has the molecular formula C18H26N4O6 and a molecular weight of 394.43 g/mol. Its IUPAC name is methyl 2-[2-[(1S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[2-[(1S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
• PubChem CID: 122228769
• Molecular Formula: C18H26N4O6
• Molecular Weight: 394.43 g/mol
• Exact Mass: 394.19
• IUPAC Name: methyl 2-[2-[(1S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
• SMILES: COC(=O)c1coc(-c2coc([C@@H](N)CCCCNC(=O)OC(C)(C)C)n2)n1
• InChI: InChI=1S/C18H26N4O6/c1-18(2,3)28-17(24)20-8-6-5-7-11(19)14-21-12(9-26-14)15-22-13(10-27-15)16(23)25-4/h9-11H,5-8,19H2,1-4H3,(H,20,24)/t11-/m0/s1
• InChIKey: DOKBTFJZMCHRIF-NSHDSACASA-N
• XLogP: 2.81
• TPSA: 142.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.43
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of methyl 2-[2-[(1S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate (CID 122228769) is methyl 2-[2-[(1S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate.

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

The canonical SMILES for methyl 2-[2-[(1S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(-c2coc([C@@H](N)CCCCNC(=O)OC(C)(C)C)n2)n1.

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

The InChIKey is DOKBTFJZMCHRIF-NSHDSACASA-N. The full InChI is InChI=1S/C18H26N4O6/c1-18(2,3)28-17(24)20-8-6-5-7-11(19)14-21-12(9-26-14)15-22-13(10-27-15)16(23)25-4/h9-11H,5-8,19H2,1-4H3,(H,20,24)/t11-/m0/s1.

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

methyl 2-[2-[(1S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 394.43 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[2-[(1S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 122228769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).