5-(2-tert-butylsilyloxypropan-2-yl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazole-5-carbaldehyde

C28H34N2O4Si — CID 131725997

About 5-(2-tert-butylsilyloxypropan-2-yl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazole-5-carbaldehyde

5-(2-tert-butylsilyloxypropan-2-yl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazole-5-carbaldehyde (PubChem CID 131725997) has the molecular formula C28H34N2O4Si and a molecular weight of 490.68 g/mol. Its IUPAC name is 5-(2-tert-butylsilyloxypropan-2-yl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazole-5-carbaldehyde.

Molecular Properties

• Compound Name: 5-(2-tert-butylsilyloxypropan-2-yl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazole-5-carbaldehyde
• PubChem CID: 131725997
• Molecular Formula: C28H34N2O4Si
• Molecular Weight: 490.68 g/mol
• Exact Mass: 490.23
• IUPAC Name: 5-(2-tert-butylsilyloxypropan-2-yl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazole-5-carbaldehyde
• SMILES: Cc1cc(COc2ccc(C3=NOC(C=O)(C(C)(C)O[SiH2]C(C)(C)C)C3)cc2)c2ccccc2n1
• InChI: InChI=1S/C28H34N2O4Si/c1-19-15-21(23-9-7-8-10-24(23)29-19)17-32-22-13-11-20(12-14-22)25-16-28(18-31,33-30-25)27(5,6)34-35-26(2,3)4/h7-15,18H,16-17,35H2,1-6H3
• InChIKey: KETZYZQSJPOTES-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 70.01 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.68
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butylsilyloxypropan-2-yl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazole-5-carbaldehyde?

The IUPAC name of 5-(2-tert-butylsilyloxypropan-2-yl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazole-5-carbaldehyde (CID 131725997) is 5-(2-tert-butylsilyloxypropan-2-yl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazole-5-carbaldehyde.

What is the SMILES notation for 5-(2-tert-butylsilyloxypropan-2-yl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazole-5-carbaldehyde?

The canonical SMILES for 5-(2-tert-butylsilyloxypropan-2-yl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazole-5-carbaldehyde is Cc1cc(COc2ccc(C3=NOC(C=O)(C(C)(C)O[SiH2]C(C)(C)C)C3)cc2)c2ccccc2n1.

What is the InChIKey of 5-(2-tert-butylsilyloxypropan-2-yl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazole-5-carbaldehyde?

The InChIKey is KETZYZQSJPOTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4Si/c1-19-15-21(23-9-7-8-10-24(23)29-19)17-32-22-13-11-20(12-14-22)25-16-28(18-31,33-30-25)27(5,6)34-35-26(2,3)4/h7-15,18H,16-17,35H2,1-6H3.

What are the key properties of 5-(2-tert-butylsilyloxypropan-2-yl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazole-5-carbaldehyde?

5-(2-tert-butylsilyloxypropan-2-yl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazole-5-carbaldehyde has a molecular weight of 490.68 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-tert-butylsilyloxypropan-2-yl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazole-5-carbaldehyde is sourced from PubChem (CID 131725997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).