4-benzyl-3-butyl-5-(trityloxymethyl)-1,3-oxazolidin-2-one

C34H35NO3 — CID 22241608

IUPAC4-benzyl-3-butyl-5-(trityloxymethyl)-1,3-oxazolidin-2-one
SMILESCCCCN1C(=O)OC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C34H35NO3/c1-2-3-24-35-31(25-27-16-8-4-9-17-27)32(38-33(35)36)26-37-34(28-18-10-5-11-19-28,29-20-12-6-13-21-29)30-22-14-7-15-23-30/h4-23,31-32H,2-3,24-26H2,1H3
InChIKeyQMOJNVBZHRCQJZ-UHFFFAOYSA-N
MW505.66 g/mol
LogP7.23
Rot. Bonds11

About 4-benzyl-3-butyl-5-(trityloxymethyl)-1,3-oxazolidin-2-one

4-benzyl-3-butyl-5-(trityloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 22241608) has the molecular formula C34H35NO3 and a molecular weight of 505.66 g/mol. Its IUPAC name is 4-benzyl-3-butyl-5-(trityloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-butyl-5-(trityloxymethyl)-1,3-oxazolidin-2-one
PubChem CID22241608
Molecular FormulaC34H35NO3
Molecular Weight505.66 g/mol
Exact Mass505.26
IUPAC Name4-benzyl-3-butyl-5-(trityloxymethyl)-1,3-oxazolidin-2-one
SMILESCCCCN1C(=O)OC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C34H35NO3/c1-2-3-24-35-31(25-27-16-8-4-9-17-27)32(38-33(35)36)26-37-34(28-18-10-5-11-19-28,29-20-12-6-13-21-29)30-22-14-7-15-23-30/h4-23,31-32H,2-3,24-26H2,1H3
InChIKeyQMOJNVBZHRCQJZ-UHFFFAOYSA-N
XLogP7.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.66
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-butyl-5-(trityloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-butyl-5-(trityloxymethyl)-1,3-oxazolidin-2-one (CID 22241608) is 4-benzyl-3-butyl-5-(trityloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-butyl-5-(trityloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-butyl-5-(trityloxymethyl)-1,3-oxazolidin-2-one is CCCCN1C(=O)OC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-butyl-5-(trityloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is QMOJNVBZHRCQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35NO3/c1-2-3-24-35-31(25-27-16-8-4-9-17-27)32(38-33(35)36)26-37-34(28-18-10-5-11-19-28,29-20-12-6-13-21-29)30-22-14-7-15-23-30/h4-23,31-32H,2-3,24-26H2,1H3.
What are the key properties of 4-benzyl-3-butyl-5-(trityloxymethyl)-1,3-oxazolidin-2-one?
4-benzyl-3-butyl-5-(trityloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 505.66 g/mol, XLogP of 7.23, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-butyl-5-(trityloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22241608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).