(4S)-4-benzyl-3-[(E)-butylideneamino]-1,3-oxazolidin-2-one

C14H18N2O2 — CID 11195960

IUPAC(4S)-4-benzyl-3-[(E)-butylideneamino]-1,3-oxazolidin-2-one
SMILESCCC/C=N/N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-2-3-9-15-16-13(11-18-14(16)17)10-12-7-5-4-6-8-12/h4-9,13H,2-3,10-11H2,1H3/b15-9+/t13-/m0/s1
InChIKeyZXASTDYEBZWAAM-NCPSJORJSA-N
MW246.31 g/mol
LogP2.84
Rot. Bonds5

About (4S)-4-benzyl-3-[(E)-butylideneamino]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(E)-butylideneamino]-1,3-oxazolidin-2-one (PubChem CID 11195960) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(E)-butylideneamino]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(E)-butylideneamino]-1,3-oxazolidin-2-one
PubChem CID11195960
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(4S)-4-benzyl-3-[(E)-butylideneamino]-1,3-oxazolidin-2-one
SMILESCCC/C=N/N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-2-3-9-15-16-13(11-18-14(16)17)10-12-7-5-4-6-8-12/h4-9,13H,2-3,10-11H2,1H3/b15-9+/t13-/m0/s1
InChIKeyZXASTDYEBZWAAM-NCPSJORJSA-N
XLogP2.84
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester
CID 3079077
tert-butyl N-[(2S,3R,4E)-3-hydroxy-1-phenyl-4-pyrrolidin-1-yliminobutan-2-yl]carbamate
CID 10860962
tert-butyl N-[(2S,3S,4E)-3-hydroxy-1-phenyl-4-pyrrolidin-1-yliminobutan-2-yl]carbamate
CID 10904160
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 11402354
lithium (R)-4-benzyl-2-oxooxazolidin-3-ide
CID 10899312
lithium (4S)-4-benzyl-1,3-oxazolidin-3-id-2-one
CID 10899313
(4R)-3-amino-4-benzyl-1,3-oxazolidin-2-one
CID 11229292
(4S)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 12078513
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
(4R)-4-benzyl-3-prop-1-ynyl-1,3-oxazolidin-2-one
CID 134922766
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine
CID 10857334
(4S)-3-[(E)-benzylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11020755

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(E)-butylideneamino]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(E)-butylideneamino]-1,3-oxazolidin-2-one (CID 11195960) is (4S)-4-benzyl-3-[(E)-butylideneamino]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(E)-butylideneamino]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(E)-butylideneamino]-1,3-oxazolidin-2-one is CCC/C=N/N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(E)-butylideneamino]-1,3-oxazolidin-2-one?
The InChIKey is ZXASTDYEBZWAAM-NCPSJORJSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-3-9-15-16-13(11-18-14(16)17)10-12-7-5-4-6-8-12/h4-9,13H,2-3,10-11H2,1H3/b15-9+/t13-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(E)-butylideneamino]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(E)-butylideneamino]-1,3-oxazolidin-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(E)-butylideneamino]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11195960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).