(6E)-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoate

C30H29N2O5- — CID 22344559

About (6E)-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoate

(6E)-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoate (PubChem CID 22344559) has the molecular formula C30H29N2O5- and a molecular weight of 497.57 g/mol. Its IUPAC name is (6E)-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoate.

Molecular Properties

• Compound Name: (6E)-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoate
• PubChem CID: 22344559
• Molecular Formula: C30H29N2O5-
• Molecular Weight: 497.57 g/mol
• Exact Mass: 497.21
• IUPAC Name: (6E)-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoate
• SMILES: Cc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(\CCCCC(=O)[O-])c2ccccc2)cc1
• InChI: InChI=1S/C30H30N2O5/c1-22-28(31-30(37-22)25-12-6-3-7-13-25)21-35-26-18-16-23(17-19-26)20-36-32-27(14-8-9-15-29(33)34)24-10-4-2-5-11-24/h2-7,10-13,16-19H,8-9,14-15,20-21H2,1H3,(H,33,34)/p-1/b32-27+
• InChIKey: SFIPWOMMPNGXJC-QVAGMWBUSA-M
• XLogP: 5.46
• TPSA: 96.98 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.57
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (6E)-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoate?

The IUPAC name of (6E)-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoate (CID 22344559) is (6E)-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoate.

What is the SMILES notation for (6E)-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoate?

The canonical SMILES for (6E)-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoate is Cc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(\CCCCC(=O)[O-])c2ccccc2)cc1.

What is the InChIKey of (6E)-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoate?

The InChIKey is SFIPWOMMPNGXJC-QVAGMWBUSA-M. The full InChI is InChI=1S/C30H30N2O5/c1-22-28(31-30(37-22)25-12-6-3-7-13-25)21-35-26-18-16-23(17-19-26)20-36-32-27(14-8-9-15-29(33)34)24-10-4-2-5-11-24/h2-7,10-13,16-19H,8-9,14-15,20-21H2,1H3,(H,33,34)/p-1/b32-27+.

What are the key properties of (6E)-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoate?

(6E)-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoate has a molecular weight of 497.57 g/mol, XLogP of 5.46, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6E)-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoate is sourced from PubChem (CID 22344559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).