(4S)-3-[(E)-benzylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one

C13H16N2O2 — CID 11020755

IUPAC(4S)-3-[(E)-benzylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1/N=C/c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10(2)12-9-17-13(16)15(12)14-8-11-6-4-3-5-7-11/h3-8,10,12H,9H2,1-2H3/b14-8+/t12-/m1/s1
InChIKeyQYNBJUVNMWXIQV-ZBQKXELDSA-N
MW232.28 g/mol
LogP2.50
Rot. Bonds3

About (4S)-3-[(E)-benzylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(E)-benzylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11020755) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (4S)-3-[(E)-benzylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(E)-benzylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11020755
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(4S)-3-[(E)-benzylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1/N=C/c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10(2)12-9-17-13(16)15(12)14-8-11-6-4-3-5-7-11/h3-8,10,12H,9H2,1-2H3/b14-8+/t12-/m1/s1
InChIKeyQYNBJUVNMWXIQV-ZBQKXELDSA-N
XLogP2.50
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.50
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

2-Oxazolidone, 3-(phenylmethyleneamino)-
CID 9568076
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine
CID 11024637
(4S)-4-benzyl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one
CID 11161810
(4S)-4-benzyl-3-[(E)-butylideneamino]-1,3-oxazolidin-2-one
CID 11195960
(4S)-4-benzyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-oxazolidin-2-one
CID 11220491
(4S)-4-benzhydryl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one
CID 11301287
(4S)-4-benzyl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one
CID 11736426
ethyl (2E)-2-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]imino]acetate
CID 11737461
(4S)-4-benzyl-3-[(E)-ethylideneamino]-1,3-oxazolidin-2-one
CID 12064994
(4S)-4-benzyl-3-[(E)-pentylideneamino]-1,3-oxazolidin-2-one
CID 12064995
(4S)-4-benzyl-3-[(E)-hexylideneamino]-1,3-oxazolidin-2-one
CID 12064996
(4S)-4-benzyl-3-[(E)-3-methylbutylideneamino]-1,3-oxazolidin-2-one
CID 12064997

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(E)-benzylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(E)-benzylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11020755) is (4S)-3-[(E)-benzylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(E)-benzylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(E)-benzylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1/N=C/c1ccccc1.
What is the InChIKey of (4S)-3-[(E)-benzylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is QYNBJUVNMWXIQV-ZBQKXELDSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(2)12-9-17-13(16)15(12)14-8-11-6-4-3-5-7-11/h3-8,10,12H,9H2,1-2H3/b14-8+/t12-/m1/s1.
What are the key properties of (4S)-3-[(E)-benzylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(E)-benzylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 232.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(E)-benzylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11020755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).