4-hydroxy-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolidin-2-one

C15H21NO3 — CID 5295214

IUPAC4-hydroxy-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)(CC1(C)OC(=O)NC1(C)O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-13(2,11-8-6-5-7-9-11)10-14(3)15(4,18)16-12(17)19-14/h5-9,18H,10H2,1-4H3,(H,16,17)
InChIKeyIOWFNNGRRXVXTJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.56
Rot. Bonds3

About 4-hydroxy-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolidin-2-one

4-hydroxy-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolidin-2-one (PubChem CID 5295214) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-hydroxy-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolidin-2-one
PubChem CID5295214
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-hydroxy-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)(CC1(C)OC(=O)NC1(C)O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-13(2,11-8-6-5-7-9-11)10-14(3)15(4,18)16-12(17)19-14/h5-9,18H,10H2,1-4H3,(H,16,17)
InChIKeyIOWFNNGRRXVXTJ-UHFFFAOYSA-N
XLogP2.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-methyl-4,5,5-triphenyl-1,3-oxazolidin-2-one
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CID 171375456

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-hydroxy-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolidin-2-one (CID 5295214) is 4-hydroxy-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-hydroxy-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-hydroxy-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolidin-2-one is CC(C)(CC1(C)OC(=O)NC1(C)O)c1ccccc1.
What is the InChIKey of 4-hydroxy-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is IOWFNNGRRXVXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-13(2,11-8-6-5-7-9-11)10-14(3)15(4,18)16-12(17)19-14/h5-9,18H,10H2,1-4H3,(H,16,17).
What are the key properties of 4-hydroxy-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolidin-2-one?
4-hydroxy-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 5295214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).