3-trityl-1,3-oxazolidin-5-one

C22H19NO2 — CID 7107390

IUPAC3-trityl-1,3-oxazolidin-5-one
SMILESO=C1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CO1
InChIInChI=1S/C22H19NO2/c24-21-16-23(17-25-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyMLOBYZUIPXPCOL-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.79
Rot. Bonds4

About 3-trityl-1,3-oxazolidin-5-one

3-trityl-1,3-oxazolidin-5-one (PubChem CID 7107390) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-trityl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name3-trityl-1,3-oxazolidin-5-one
PubChem CID7107390
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name3-trityl-1,3-oxazolidin-5-one
SMILESO=C1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CO1
InChIInChI=1S/C22H19NO2/c24-21-16-23(17-25-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyMLOBYZUIPXPCOL-UHFFFAOYSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.79
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 3-trityl-1,3-oxazolidin-5-one?
The IUPAC name of 3-trityl-1,3-oxazolidin-5-one (CID 7107390) is 3-trityl-1,3-oxazolidin-5-one.
What is the SMILES notation for 3-trityl-1,3-oxazolidin-5-one?
The canonical SMILES for 3-trityl-1,3-oxazolidin-5-one is O=C1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CO1.
What is the InChIKey of 3-trityl-1,3-oxazolidin-5-one?
The InChIKey is MLOBYZUIPXPCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c24-21-16-23(17-25-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of 3-trityl-1,3-oxazolidin-5-one?
3-trityl-1,3-oxazolidin-5-one has a molecular weight of 329.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trityl-1,3-oxazolidin-5-one is sourced from PubChem (CID 7107390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).