OZ-439

C28H39NO5 — CID 24999143

IUPAC—
SMILESc1cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1
InChIInChI=1S/C28H39NO5/c1-3-26(31-14-11-29-9-12-30-13-10-29)4-2-22(1)23-5-7-27(8-6-23)32-28(34-33-27)24-16-20-15-21(18-24)19-25(28)17-20/h1-4,20-21,23-25H,5-19H2
InChIKeyXLCNVWUKICLURR-UHFFFAOYSA-N
MW469.62 g/mol
LogP4.88
Rot. Bonds5

About OZ-439

OZ-439 (PubChem CID 24999143) has the molecular formula C28H39NO5 and a molecular weight of 469.62 g/mol.

Molecular Properties

Compound NameOZ-439
PubChem CID24999143
Molecular FormulaC28H39NO5
Molecular Weight469.62 g/mol
Exact Mass469.28
IUPAC Name—
SMILESc1cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1
InChIInChI=1S/C28H39NO5/c1-3-26(31-14-11-29-9-12-30-13-10-29)4-2-22(1)23-5-7-27(8-6-23)32-28(34-33-27)24-16-20-15-21(18-24)19-25(28)17-20/h1-4,20-21,23-25H,5-19H2
InChIKeyXLCNVWUKICLURR-UHFFFAOYSA-N
XLogP4.88
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.62
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of OZ-439?
The IUPAC name of OZ-439 (CID 24999143) is not available.
What is the SMILES notation for OZ-439?
The canonical SMILES for OZ-439 is c1cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1.
What is the InChIKey of OZ-439?
The InChIKey is XLCNVWUKICLURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39NO5/c1-3-26(31-14-11-29-9-12-30-13-10-29)4-2-22(1)23-5-7-27(8-6-23)32-28(34-33-27)24-16-20-15-21(18-24)19-25(28)17-20/h1-4,20-21,23-25H,5-19H2.
What are the key properties of OZ-439?
OZ-439 has a molecular weight of 469.62 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for OZ-439 is sourced from PubChem (CID 24999143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).