3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one

C15H19NO3 — CID 85308528

IUPAC3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one
SMILESCC(C)C(CC(=O)N1CCOC1=O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-11(2)13(12-6-4-3-5-7-12)10-14(17)16-8-9-19-15(16)18/h3-7,11,13H,8-10H2,1-2H3
InChIKeyLSRZITARZPQSPW-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.80
Rot. Bonds4

About 3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one

3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one (PubChem CID 85308528) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one
PubChem CID85308528
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one
SMILESCC(C)C(CC(=O)N1CCOC1=O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-11(2)13(12-6-4-3-5-7-12)10-14(17)16-8-9-19-15(16)18/h3-7,11,13H,8-10H2,1-2H3
InChIKeyLSRZITARZPQSPW-UHFFFAOYSA-N
XLogP2.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(6-Phenylhexanoyl) oxazolidin-2-one
CID 101746948
3-[6-(4-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
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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-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one (CID 85308528) is 3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one is CC(C)C(CC(=O)N1CCOC1=O)c1ccccc1.
What is the InChIKey of 3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one?
The InChIKey is LSRZITARZPQSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(2)13(12-6-4-3-5-7-12)10-14(17)16-8-9-19-15(16)18/h3-7,11,13H,8-10H2,1-2H3.
What are the key properties of 3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one?
3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 85308528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).