2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-one

C12H15NO2 — CID 13330478

IUPAC2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-one
SMILESCN1OC(=O)C(C)(C)C1c1ccccc1
InChIInChI=1S/C12H15NO2/c1-12(2)10(13(3)15-11(12)14)9-7-5-4-6-8-9/h4-8,10H,1-3H3
InChIKeyJESSKIFNTGUVAO-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.16
Rot. Bonds1

About 2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-one

2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-one (PubChem CID 13330478) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-one
PubChem CID13330478
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-one
SMILESCN1OC(=O)C(C)(C)C1c1ccccc1
InChIInChI=1S/C12H15NO2/c1-12(2)10(13(3)15-11(12)14)9-7-5-4-6-8-9/h4-8,10H,1-3H3
InChIKeyJESSKIFNTGUVAO-UHFFFAOYSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-methylene-3-(p-tolyl)isoxazolidin-5-one
CID 16126611
3-(4-Bromophenyl)-2-methyl-4-methylidene-1,2-oxazolidin-5-one
CID 44408647
2-Methyl-4-methylidene-3-phenyl-1,2-oxazolidin-5-one
CID 44409021
(3R)-3-(dimethylamino)-3-phenylpropanoic acid
CID 28743062
3-(Dimethylamino)-3-phenylpropanoic acid hydrochloride
CID 12520909
3-Dimethylamino-3-phenylpropionic acid
CID 12520908
(3R,4R)-2-benzyl-3,4-dimethyl-1,2-oxazolidin-5-one
CID 11390109
rac-(2R,3S)-1-methyl-2-phenylpyrrolidine-3-carboxylic acid hydrochloride
CID 121553791
3-Phenyl-3-(pyrrolidin-1-yl)propanoic acid hydrochloride
CID 137944527
Ethyl 2,2-difluoro-3-[methoxy(methyl)amino]-3-phenylpropanoate
CID 164675462
(3S,4R)-2-benzyl-4-methyl-3-phenyl-1,2-oxazolidin-5-one
CID 11402901
(3S,4R)-2-benzyl-3,4-diphenyl-1,2-oxazolidin-5-one
CID 12127462

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-one?
The IUPAC name of 2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-one (CID 13330478) is 2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-one.
What is the SMILES notation for 2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-one?
The canonical SMILES for 2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-one is CN1OC(=O)C(C)(C)C1c1ccccc1.
What is the InChIKey of 2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-one?
The InChIKey is JESSKIFNTGUVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2)10(13(3)15-11(12)14)9-7-5-4-6-8-9/h4-8,10H,1-3H3.
What are the key properties of 2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-one?
2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-one has a molecular weight of 205.26 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-one is sourced from PubChem (CID 13330478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).