3-methyl-4,4,5-triphenyl-1,3-oxazolidin-2-one

C22H19NO2 — CID 67774392

IUPAC3-methyl-4,4,5-triphenyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OC(c2ccccc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c1-23-21(24)25-20(17-11-5-2-6-12-17)22(23,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,20H,1H3
InChIKeyQZMSFIOWPTYKJL-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.75
Rot. Bonds3

About 3-methyl-4,4,5-triphenyl-1,3-oxazolidin-2-one

3-methyl-4,4,5-triphenyl-1,3-oxazolidin-2-one (PubChem CID 67774392) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-methyl-4,4,5-triphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-methyl-4,4,5-triphenyl-1,3-oxazolidin-2-one
PubChem CID67774392
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name3-methyl-4,4,5-triphenyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OC(c2ccccc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c1-23-21(24)25-20(17-11-5-2-6-12-17)22(23,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,20H,1H3
InChIKeyQZMSFIOWPTYKJL-UHFFFAOYSA-N
XLogP4.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,4,5-triphenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-methyl-4,4,5-triphenyl-1,3-oxazolidin-2-one (CID 67774392) is 3-methyl-4,4,5-triphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-methyl-4,4,5-triphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-methyl-4,4,5-triphenyl-1,3-oxazolidin-2-one is CN1C(=O)OC(c2ccccc2)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methyl-4,4,5-triphenyl-1,3-oxazolidin-2-one?
The InChIKey is QZMSFIOWPTYKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-23-21(24)25-20(17-11-5-2-6-12-17)22(23,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,20H,1H3.
What are the key properties of 3-methyl-4,4,5-triphenyl-1,3-oxazolidin-2-one?
3-methyl-4,4,5-triphenyl-1,3-oxazolidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,4,5-triphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67774392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).