(7E)-7-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-7-phenylheptanoic acid

C31H32N2O5 — CID 11060312

About (7E)-7-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-7-phenylheptanoic acid

(7E)-7-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-7-phenylheptanoic acid (PubChem CID 11060312) has the molecular formula C31H32N2O5 and a molecular weight of 512.61 g/mol. Its IUPAC name is (7E)-7-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-7-phenylheptanoic acid.

Molecular Properties

• Compound Name: (7E)-7-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-7-phenylheptanoic acid
• PubChem CID: 11060312
• Molecular Formula: C31H32N2O5
• Molecular Weight: 512.61 g/mol
• Exact Mass: 512.23
• IUPAC Name: (7E)-7-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-7-phenylheptanoic acid
• SMILES: Cc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(\CCCCCC(=O)O)c2ccccc2)cc1
• InChI: InChI=1S/C31H32N2O5/c1-23-29(32-31(38-23)26-13-7-3-8-14-26)22-36-27-19-17-24(18-20-27)21-37-33-28(25-11-5-2-6-12-25)15-9-4-10-16-30(34)35/h2-3,5-8,11-14,17-20H,4,9-10,15-16,21-22H2,1H3,(H,34,35)/b33-28+
• InChIKey: GXGGOHSUVQOODK-PJJLUWSFSA-N
• XLogP: 7.19
• TPSA: 94.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.61
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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 (7E)-7-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-7-phenylheptanoic acid?

The IUPAC name of (7E)-7-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-7-phenylheptanoic acid (CID 11060312) is (7E)-7-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-7-phenylheptanoic acid.

What is the SMILES notation for (7E)-7-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-7-phenylheptanoic acid?

The canonical SMILES for (7E)-7-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-7-phenylheptanoic acid is Cc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(\CCCCCC(=O)O)c2ccccc2)cc1.

What is the InChIKey of (7E)-7-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-7-phenylheptanoic acid?

The InChIKey is GXGGOHSUVQOODK-PJJLUWSFSA-N. The full InChI is InChI=1S/C31H32N2O5/c1-23-29(32-31(38-23)26-13-7-3-8-14-26)22-36-27-19-17-24(18-20-27)21-37-33-28(25-11-5-2-6-12-25)15-9-4-10-16-30(34)35/h2-3,5-8,11-14,17-20H,4,9-10,15-16,21-22H2,1H3,(H,34,35)/b33-28+.

What are the key properties of (7E)-7-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-7-phenylheptanoic acid?

(7E)-7-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-7-phenylheptanoic acid has a molecular weight of 512.61 g/mol, XLogP of 7.19, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7E)-7-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-7-phenylheptanoic acid is sourced from PubChem (CID 11060312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).