2-[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol

C36H38FNO7 — CID 143298855

About 2-[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol

2-[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 143298855) has the molecular formula C36H38FNO7 and a molecular weight of 615.70 g/mol. Its IUPAC name is 2-[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

• Compound Name: 2-[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol
• PubChem CID: 143298855
• Molecular Formula: C36H38FNO7
• Molecular Weight: 615.70 g/mol
• Exact Mass: 615.26
• IUPAC Name: 2-[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol
• SMILES: OCC1CC(O)C(O)C(c2ccc(-c3ccc(C4C(CCC(O)c5ccc(F)cc5)OCN4c4ccccc4)c(O)c3)cc2)O1
• InChI: InChI=1S/C36H38FNO7/c37-26-13-10-23(11-14-26)30(40)16-17-33-34(38(21-44-33)27-4-2-1-3-5-27)29-15-12-25(18-31(29)41)22-6-8-24(9-7-22)36-35(43)32(42)19-28(20-39)45-36/h1-15,18,28,30,32-36,39-43H,16-17,19-21H2
• InChIKey: GHGJJDMXKNHZOU-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 122.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.70
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol?

The IUPAC name of 2-[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol (CID 143298855) is 2-[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol.

What is the SMILES notation for 2-[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol?

The canonical SMILES for 2-[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol is OCC1CC(O)C(O)C(c2ccc(-c3ccc(C4C(CCC(O)c5ccc(F)cc5)OCN4c4ccccc4)c(O)c3)cc2)O1.

What is the InChIKey of 2-[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol?

The InChIKey is GHGJJDMXKNHZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38FNO7/c37-26-13-10-23(11-14-26)30(40)16-17-33-34(38(21-44-33)27-4-2-1-3-5-27)29-15-12-25(18-31(29)41)22-6-8-24(9-7-22)36-35(43)32(42)19-28(20-39)45-36/h1-15,18,28,30,32-36,39-43H,16-17,19-21H2.

What are the key properties of 2-[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol?

2-[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 615.70 g/mol, XLogP of 5.16, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 143298855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).