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

C22H19NO2 — CID 67774393

IUPAC4-methyl-4,5,5-triphenyl-1,3-oxazolidin-2-one
SMILESCC1(c2ccccc2)NC(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c1-21(17-11-5-2-6-12-17)22(25-20(24)23-21,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3,(H,23,24)
InChIKeyUCPMEXLVOUNOOL-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.59
Rot. Bonds3

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

4-methyl-4,5,5-triphenyl-1,3-oxazolidin-2-one (PubChem CID 67774393) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-methyl-4,5,5-triphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-4,5,5-triphenyl-1,3-oxazolidin-2-one
PubChem CID67774393
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name4-methyl-4,5,5-triphenyl-1,3-oxazolidin-2-one
SMILESCC1(c2ccccc2)NC(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c1-21(17-11-5-2-6-12-17)22(25-20(24)23-21,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3,(H,23,24)
InChIKeyUCPMEXLVOUNOOL-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,5,5-triphenyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-4,5,5-triphenyl-1,3-oxazolidin-2-one (CID 67774393) is 4-methyl-4,5,5-triphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-4,5,5-triphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-4,5,5-triphenyl-1,3-oxazolidin-2-one is CC1(c2ccccc2)NC(=O)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-methyl-4,5,5-triphenyl-1,3-oxazolidin-2-one?
The InChIKey is UCPMEXLVOUNOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-21(17-11-5-2-6-12-17)22(25-20(24)23-21,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3,(H,23,24).
What are the key properties of 4-methyl-4,5,5-triphenyl-1,3-oxazolidin-2-one?
4-methyl-4,5,5-triphenyl-1,3-oxazolidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,5,5-triphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67774393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).