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

C16H22N2O2 — CID 12064996

IUPAC(4S)-4-benzyl-3-[(E)-hexylideneamino]-1,3-oxazolidin-2-one
SMILESCCCCC/C=N/N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-2-3-4-8-11-17-18-15(13-20-16(18)19)12-14-9-6-5-7-10-14/h5-7,9-11,15H,2-4,8,12-13H2,1H3/b17-11+/t15-/m0/s1
InChIKeyOBLVNVQHTOGFJY-VUVCFOEZSA-N
MW274.36 g/mol
LogP3.62
Rot. Bonds7

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

(4S)-4-benzyl-3-[(E)-hexylideneamino]-1,3-oxazolidin-2-one (PubChem CID 12064996) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(E)-hexylideneamino]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(E)-hexylideneamino]-1,3-oxazolidin-2-one
PubChem CID12064996
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(4S)-4-benzyl-3-[(E)-hexylideneamino]-1,3-oxazolidin-2-one
SMILESCCCCC/C=N/N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-2-3-4-8-11-17-18-15(13-20-16(18)19)12-14-9-6-5-7-10-14/h5-7,9-11,15H,2-4,8,12-13H2,1H3/b17-11+/t15-/m0/s1
InChIKeyOBLVNVQHTOGFJY-VUVCFOEZSA-N
XLogP3.62
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(E)-hexylideneamino]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(E)-hexylideneamino]-1,3-oxazolidin-2-one (CID 12064996) is (4S)-4-benzyl-3-[(E)-hexylideneamino]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(E)-hexylideneamino]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(E)-hexylideneamino]-1,3-oxazolidin-2-one is CCCCC/C=N/N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(E)-hexylideneamino]-1,3-oxazolidin-2-one?
The InChIKey is OBLVNVQHTOGFJY-VUVCFOEZSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-3-4-8-11-17-18-15(13-20-16(18)19)12-14-9-6-5-7-10-14/h5-7,9-11,15H,2-4,8,12-13H2,1H3/b17-11+/t15-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(E)-hexylideneamino]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(E)-hexylideneamino]-1,3-oxazolidin-2-one has a molecular weight of 274.36 g/mol, XLogP of 3.62, 7 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)-hexylideneamino]-1,3-oxazolidin-2-one is sourced from PubChem (CID 12064996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).