(2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]hexanoic acid

C24H26N2O5 — CID 11729518

About (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]hexanoic acid

(2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]hexanoic acid (PubChem CID 11729518) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]hexanoic acid.

Molecular Properties

• Compound Name: (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]hexanoic acid
• PubChem CID: 11729518
• Molecular Formula: C24H26N2O5
• Molecular Weight: 422.48 g/mol
• Exact Mass: 422.18
• IUPAC Name: (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]hexanoic acid
• SMILES: CCCC/C(=N\OCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O
• InChI: InChI=1S/C24H26N2O5/c1-3-4-10-21(24(27)28)26-30-15-18-11-13-20(14-12-18)29-16-22-17(2)31-23(25-22)19-8-6-5-7-9-19/h5-9,11-14H,3-4,10,15-16H2,1-2H3,(H,27,28)/b26-21+
• InChIKey: ORCYFJIVDXIAFM-YYADALCUSA-N
• XLogP: 5.38
• TPSA: 94.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.48
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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 (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]hexanoic acid?

The IUPAC name of (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]hexanoic acid (CID 11729518) is (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]hexanoic acid.

What is the SMILES notation for (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]hexanoic acid?

The canonical SMILES for (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]hexanoic acid is CCCC/C(=N\OCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O.

What is the InChIKey of (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]hexanoic acid?

The InChIKey is ORCYFJIVDXIAFM-YYADALCUSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-3-4-10-21(24(27)28)26-30-15-18-11-13-20(14-12-18)29-16-22-17(2)31-23(25-22)19-8-6-5-7-9-19/h5-9,11-14H,3-4,10,15-16H2,1-2H3,(H,27,28)/b26-21+.

What are the key properties of (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]hexanoic acid?

(2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]hexanoic acid has a molecular weight of 422.48 g/mol, XLogP of 5.38, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]hexanoic acid is sourced from PubChem (CID 11729518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).