3-(2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one

C13H15NO3 — CID 10775989

IUPAC3-(2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
SMILESCC(Cc1ccccc1)C(=O)N1CCOC1=O
InChIInChI=1S/C13H15NO3/c1-10(9-11-5-3-2-4-6-11)12(15)14-7-8-17-13(14)16/h2-6,10H,7-9H2,1H3
InChIKeyRTTHFKGBXJSZOK-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.84
Rot. Bonds3

About 3-(2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one

3-(2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one (PubChem CID 10775989) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
PubChem CID10775989
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-(2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
SMILESCC(Cc1ccccc1)C(=O)N1CCOC1=O
InChIInChI=1S/C13H15NO3/c1-10(9-11-5-3-2-4-6-11)12(15)14-7-8-17-13(14)16/h2-6,10H,7-9H2,1H3
InChIKeyRTTHFKGBXJSZOK-UHFFFAOYSA-N
XLogP1.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 6839
f215
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Methyl 2-oxo-4-phenyl-1-pyrrolidinecarboxylate
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3-(6-Phenylhexanoyl) oxazolidin-2-one
CID 101746948
3-[6-(4-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141138
3-[6-(3-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141223
1-(Morpholin-4-yl)-4-phenylbutan-1-one
CID 288839
1-Methyl-4-phenylpyrrolidin-2-one
CID 12448963
(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
(4R)-1-methyl-4-phenylpyrrolidin-2-one
CID 89763096

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one (CID 10775989) is 3-(2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one is CC(Cc1ccccc1)C(=O)N1CCOC1=O.
What is the InChIKey of 3-(2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The InChIKey is RTTHFKGBXJSZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-10(9-11-5-3-2-4-6-11)12(15)14-7-8-17-13(14)16/h2-6,10H,7-9H2,1H3.
What are the key properties of 3-(2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one?
3-(2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10775989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).