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

C13H15NO3 — CID 90414373

IUPAC(2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal
SMILESC[C@@H](C=O)[C@H]1COC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H15NO3/c1-10(8-15)12-9-17-13(16)14(12)7-11-5-3-2-4-6-11/h2-6,8,10,12H,7,9H2,1H3/t10-,12+/m0/s1
InChIKeyPECWTFURONQCBT-CMPLNLGQSA-N
MW233.27 g/mol
LogP1.84
Rot. Bonds4

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

(2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal (PubChem CID 90414373) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal.

Molecular Properties

Compound Name(2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal
PubChem CID90414373
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal
SMILESC[C@@H](C=O)[C@H]1COC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H15NO3/c1-10(8-15)12-9-17-13(16)14(12)7-11-5-3-2-4-6-11/h2-6,8,10,12H,7,9H2,1H3/t10-,12+/m0/s1
InChIKeyPECWTFURONQCBT-CMPLNLGQSA-N
XLogP1.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-[(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 138601243
(4R)-3-benzyl-4-[(1Z,3E)-penta-1,3-dienyl]-1,3-oxazolidin-2-one
CID 10514378
4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 146157496
(4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 90423794
(4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851402
(4S)-3-benzyl-4-[(S)-[(4S,5R)-2,2-dimethyl-5-[(Z)-tridec-1-enyl]-1,3-dioxolan-4-yl]-hydroxymethyl]-1,3-oxazolidin-2-one
CID 10863867
4-benzyl-2,5-dimethylmorpholin-3-one
CID 123662409
N-[(R)-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(1H-indol-3-yl)methyl]-2,2-dimethylpropanamide
CID 25170469
(4S)-3-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 72874240
2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 115060184
2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde
CID 58821279
(3R)-2,3-dibenzyl-1,4-bis[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butane-1,4-dione
CID 134462003

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal?
The IUPAC name of (2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal (CID 90414373) is (2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal.
What is the SMILES notation for (2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal?
The canonical SMILES for (2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal is C[C@@H](C=O)[C@H]1COC(=O)N1Cc1ccccc1.
What is the InChIKey of (2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal?
The InChIKey is PECWTFURONQCBT-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H15NO3/c1-10(8-15)12-9-17-13(16)14(12)7-11-5-3-2-4-6-11/h2-6,8,10,12H,7,9H2,1H3/t10-,12+/m0/s1.
What are the key properties of (2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal?
(2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal has a molecular weight of 233.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal is sourced from PubChem (CID 90414373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).