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

C15H19NO4 — CID 137468469

IUPAC3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one
SMILESCC(CCOCc1ccccc1)C(=O)N1CCOC1=O
InChIInChI=1S/C15H19NO4/c1-12(14(17)16-8-10-20-15(16)18)7-9-19-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyYGTUFOIIBKSNSN-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.21
Rot. Bonds6

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

3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one (PubChem CID 137468469) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one
PubChem CID137468469
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one
SMILESCC(CCOCc1ccccc1)C(=O)N1CCOC1=O
InChIInChI=1S/C15H19NO4/c1-12(14(17)16-8-10-20-15(16)18)7-9-19-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyYGTUFOIIBKSNSN-UHFFFAOYSA-N
XLogP2.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3R)-7-chloro-4,4-dimethyl-3-(2-phenylmethoxyethyl)heptanoyl]-1,3-oxazolidin-2-one
CID 11452241
benzyl (2S)-2-[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]pyrrolidine-1-carboxylate
CID 15894128
(4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one
CID 10318531
3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one
CID 10596397
4-methyl-6-phenylmethoxyhex-1-en-3-one
CID 175450256
benzyl N-[(1R,2R)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)-1-phenylbutyl]carbamate
CID 139117529
3-[3-phenyl-2-(4-phenylphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 166438755
3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 10682057
[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate
CID 18638958
S-[(2R)-2-benzyl-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl] ethanethioate
CID 102197437
3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 10397067
3-[2-[(2S,4R,6R)-6-(phenylmethoxymethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetyl]-1,3-oxazolidin-2-one
CID 57343299

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one (CID 137468469) is 3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one is CC(CCOCc1ccccc1)C(=O)N1CCOC1=O.
What is the InChIKey of 3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one?
The InChIKey is YGTUFOIIBKSNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-12(14(17)16-8-10-20-15(16)18)7-9-19-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of 3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one?
3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one has a molecular weight of 277.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 137468469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).