(3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal

C15H17NO4 — CID 14609646

IUPAC(3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal
SMILESC[C@H](CC=O)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H17NO4/c1-11(7-8-17)14(18)16-13(10-20-15(16)19)9-12-5-3-2-4-6-12/h2-6,8,11,13H,7,9-10H2,1H3/t11-,13+/m1/s1
InChIKeyFMYIZFYRPVIBTM-YPMHNXCESA-N
MW275.30 g/mol
LogP1.80
Rot. Bonds5

About (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal

(3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal (PubChem CID 14609646) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal.

Molecular Properties

Compound Name(3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal
PubChem CID14609646
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal
SMILESC[C@H](CC=O)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H17NO4/c1-11(7-8-17)14(18)16-13(10-20-15(16)19)9-12-5-3-2-4-6-12/h2-6,8,11,13H,7,9-10H2,1H3/t11-,13+/m1/s1
InChIKeyFMYIZFYRPVIBTM-YPMHNXCESA-N
XLogP1.80
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
4-benzyl-3-(3-bromo-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 76787138
(4S)-4-benzyl-3-[(2R,4R)-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
CID 101262619
(4R)-4-benzyl-3-[(E,2S)-6-(1,3-dioxolan-2-yl)-2-methylhex-4-enoyl]-1,3-oxazolidin-2-one
CID 11485168
(4S)-4-benzyl-3-[(E)-2-methylpent-3-enoyl]-1,3-oxazolidin-2-one
CID 126628879
(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methylbutane-1,3-dione
CID 102120797
(4S)-4-benzyl-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 58566621
(4S)-4-benzyl-3-[(2R)-3-diphenylphosphanyl-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 25266516
(E,3R,4R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-dimethyl-7-oxohept-5-enal
CID 11002007
(4S)-4-benzyl-3-[(2S)-2-bromo-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 14604024
(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522
4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one
CID 74430125

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal?
The IUPAC name of (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal (CID 14609646) is (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal.
What is the SMILES notation for (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal?
The canonical SMILES for (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal is C[C@H](CC=O)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal?
The InChIKey is FMYIZFYRPVIBTM-YPMHNXCESA-N. The full InChI is InChI=1S/C15H17NO4/c1-11(7-8-17)14(18)16-13(10-20-15(16)19)9-12-5-3-2-4-6-12/h2-6,8,11,13H,7,9-10H2,1H3/t11-,13+/m1/s1.
What are the key properties of (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal?
(3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal has a molecular weight of 275.30 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal is sourced from PubChem (CID 14609646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).