(4R)-4-benzyl-3-decanoyl-1,3-oxazolidin-2-one

C20H29NO3 — CID 24854556

IUPAC(4R)-4-benzyl-3-decanoyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C20H29NO3/c1-2-3-4-5-6-7-11-14-19(22)21-18(16-24-20(21)23)15-17-12-9-8-10-13-17/h8-10,12-13,18H,2-7,11,14-16H2,1H3/t18-/m1/s1
InChIKeyYLXXQQMUBPCABG-GOSISDBHSA-N
MW331.46 g/mol
LogP4.72
Rot. Bonds10

About (4R)-4-benzyl-3-decanoyl-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-decanoyl-1,3-oxazolidin-2-one (PubChem CID 24854556) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is (4R)-4-benzyl-3-decanoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-decanoyl-1,3-oxazolidin-2-one
PubChem CID24854556
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name(4R)-4-benzyl-3-decanoyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C20H29NO3/c1-2-3-4-5-6-7-11-14-19(22)21-18(16-24-20(21)23)15-17-12-9-8-10-13-17/h8-10,12-13,18H,2-7,11,14-16H2,1H3/t18-/m1/s1
InChIKeyYLXXQQMUBPCABG-GOSISDBHSA-N
XLogP4.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Cyclohexyl-2-oxo-acetyl)-pyrrolidine-2-carboxylic acid 3-phenyl-propyl ester
CID 21027759
1-(3,3-Dimethyl-2-oxo-butyryl)-pyrrolidine-2-carboxylic acid 3-phenyl-propyl ester
CID 44365151
Acetyl-L-phenylalanine ethyl ester
CID 94229
(S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carboxylic acid 3-phenyl-propyl ester
CID 9906857
1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carboxylic acid 3-phenyl-propyl ester
CID 23555949
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
Ethyl 2-acetamido-3-phenylpropanoate
CID 600541
(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
dimethyl (2R,5R)-5-benzyl-2-methyl-2H-pyrrole-1,5-dicarboxylate
CID 5459719
methyl (2S)-2-[methyl-[(2S)-2-[methyl-[(2S)-3-methyl-2-[methyl-[(2S)-3-methyl-2-[methyl-[(2S)-3-methyl-2-[methyl(oct-7-enoyl)amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]propanoyl]amino]-3-phenylpropanoate
CID 46237702

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-decanoyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-decanoyl-1,3-oxazolidin-2-one (CID 24854556) is (4R)-4-benzyl-3-decanoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-decanoyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-decanoyl-1,3-oxazolidin-2-one is CCCCCCCCCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-decanoyl-1,3-oxazolidin-2-one?
The InChIKey is YLXXQQMUBPCABG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29NO3/c1-2-3-4-5-6-7-11-14-19(22)21-18(16-24-20(21)23)15-17-12-9-8-10-13-17/h8-10,12-13,18H,2-7,11,14-16H2,1H3/t18-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-decanoyl-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-decanoyl-1,3-oxazolidin-2-one has a molecular weight of 331.46 g/mol, XLogP of 4.72, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-decanoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 24854556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).