ethyl (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(3-phenoxyphenyl)acetate

C34H30N2O6 — CID 10940719

About ethyl (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(3-phenoxyphenyl)acetate

ethyl (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(3-phenoxyphenyl)acetate (PubChem CID 10940719) has the molecular formula C34H30N2O6 and a molecular weight of 562.62 g/mol. Its IUPAC name is ethyl (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(3-phenoxyphenyl)acetate.

Molecular Properties

• Compound Name: ethyl (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(3-phenoxyphenyl)acetate
• PubChem CID: 10940719
• Molecular Formula: C34H30N2O6
• Molecular Weight: 562.62 g/mol
• Exact Mass: 562.21
• IUPAC Name: ethyl (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(3-phenoxyphenyl)acetate
• SMILES: CCOC(=O)/C(=N\OCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)c1cccc(Oc2ccccc2)c1
• InChI: InChI=1S/C34H30N2O6/c1-3-38-34(37)32(27-13-10-16-30(21-27)42-29-14-8-5-9-15-29)36-40-22-25-17-19-28(20-18-25)39-23-31-24(2)41-33(35-31)26-11-6-4-7-12-26/h4-21H,3,22-23H2,1-2H3/b36-32-
• InChIKey: QOHCGEGUUFJZRZ-HIELXXDYSA-N
• XLogP: 7.51
• TPSA: 92.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.62
LogP ≤ 5	7.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(3-phenoxyphenyl)acetate?

The IUPAC name of ethyl (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(3-phenoxyphenyl)acetate (CID 10940719) is ethyl (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(3-phenoxyphenyl)acetate.

What is the SMILES notation for ethyl (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(3-phenoxyphenyl)acetate?

The canonical SMILES for ethyl (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(3-phenoxyphenyl)acetate is CCOC(=O)/C(=N\OCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)c1cccc(Oc2ccccc2)c1.

What is the InChIKey of ethyl (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(3-phenoxyphenyl)acetate?

The InChIKey is QOHCGEGUUFJZRZ-HIELXXDYSA-N. The full InChI is InChI=1S/C34H30N2O6/c1-3-38-34(37)32(27-13-10-16-30(21-27)42-29-14-8-5-9-15-29)36-40-22-25-17-19-28(20-18-25)39-23-31-24(2)41-33(35-31)26-11-6-4-7-12-26/h4-21H,3,22-23H2,1-2H3/b36-32-.

What are the key properties of ethyl (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(3-phenoxyphenyl)acetate?

ethyl (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(3-phenoxyphenyl)acetate has a molecular weight of 562.62 g/mol, XLogP of 7.51, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(3-phenoxyphenyl)acetate is sourced from PubChem (CID 10940719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).