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

C32H26N2O6 — CID 11049759

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

(2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(4-phenoxyphenyl)acetic acid (PubChem CID 11049759) has the molecular formula C32H26N2O6 and a molecular weight of 534.57 g/mol. Its IUPAC name is (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(4-phenoxyphenyl)acetic acid.

Molecular Properties

• Compound Name: (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(4-phenoxyphenyl)acetic acid
• PubChem CID: 11049759
• Molecular Formula: C32H26N2O6
• Molecular Weight: 534.57 g/mol
• Exact Mass: 534.18
• IUPAC Name: (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(4-phenoxyphenyl)acetic acid
• SMILES: Cc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(\C(=O)O)c2ccc(Oc3ccccc3)cc2)cc1
• InChI: InChI=1S/C32H26N2O6/c1-22-29(33-31(39-22)25-8-4-2-5-9-25)21-37-26-16-12-23(13-17-26)20-38-34-30(32(35)36)24-14-18-28(19-15-24)40-27-10-6-3-7-11-27/h2-19H,20-21H2,1H3,(H,35,36)/b34-30-
• InChIKey: BMVWIWCUTJASRA-BVNFUTIRSA-N
• XLogP: 7.03
• TPSA: 103.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.57
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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 (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(4-phenoxyphenyl)acetic acid?

The IUPAC name of (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(4-phenoxyphenyl)acetic acid (CID 11049759) is (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(4-phenoxyphenyl)acetic acid.

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

The canonical SMILES for (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(4-phenoxyphenyl)acetic acid is Cc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(\C(=O)O)c2ccc(Oc3ccccc3)cc2)cc1.

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

The InChIKey is BMVWIWCUTJASRA-BVNFUTIRSA-N. The full InChI is InChI=1S/C32H26N2O6/c1-22-29(33-31(39-22)25-8-4-2-5-9-25)21-37-26-16-12-23(13-17-26)20-38-34-30(32(35)36)24-14-18-28(19-15-24)40-27-10-6-3-7-11-27/h2-19H,20-21H2,1H3,(H,35,36)/b34-30-.

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

(2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(4-phenoxyphenyl)acetic acid has a molecular weight of 534.57 g/mol, XLogP of 7.03, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(4-phenoxyphenyl)acetic acid is sourced from PubChem (CID 11049759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).