[carbamoyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino] phenyl carbonate

C27H25N3O6 — CID 15646285

About [carbamoyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino] phenyl carbonate

[carbamoyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino] phenyl carbonate (PubChem CID 15646285) has the molecular formula C27H25N3O6 and a molecular weight of 487.51 g/mol. Its IUPAC name is [carbamoyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino] phenyl carbonate.

Molecular Properties

• Compound Name: [carbamoyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino] phenyl carbonate
• PubChem CID: 15646285
• Molecular Formula: C27H25N3O6
• Molecular Weight: 487.51 g/mol
• Exact Mass: 487.17
• IUPAC Name: [carbamoyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino] phenyl carbonate
• SMILES: Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(OC(=O)Oc2ccccc2)C(N)=O)cc1
• InChI: InChI=1S/C27H25N3O6/c1-19-24(29-25(34-19)21-8-4-2-5-9-21)16-17-33-22-14-12-20(13-15-22)18-30(26(28)31)36-27(32)35-23-10-6-3-7-11-23/h2-15H,16-18H2,1H3,(H2,28,31)
• InChIKey: QXOGFGMWJOMUHF-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 117.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.51
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [carbamoyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino] phenyl carbonate?

The IUPAC name of [carbamoyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino] phenyl carbonate (CID 15646285) is [carbamoyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino] phenyl carbonate.

What is the SMILES notation for [carbamoyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino] phenyl carbonate?

The canonical SMILES for [carbamoyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino] phenyl carbonate is Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(OC(=O)Oc2ccccc2)C(N)=O)cc1.

What is the InChIKey of [carbamoyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino] phenyl carbonate?

The InChIKey is QXOGFGMWJOMUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O6/c1-19-24(29-25(34-19)21-8-4-2-5-9-21)16-17-33-22-14-12-20(13-15-22)18-30(26(28)31)36-27(32)35-23-10-6-3-7-11-23/h2-15H,16-18H2,1H3,(H2,28,31).

What are the key properties of [carbamoyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino] phenyl carbonate?

[carbamoyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino] phenyl carbonate has a molecular weight of 487.51 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [carbamoyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino] phenyl carbonate is sourced from PubChem (CID 15646285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).