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

C15H20N2O2 — CID 12064995

IUPAC(4S)-4-benzyl-3-[(E)-pentylideneamino]-1,3-oxazolidin-2-one
SMILESCCCC/C=N/N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-2-3-7-10-16-17-14(12-19-15(17)18)11-13-8-5-4-6-9-13/h4-6,8-10,14H,2-3,7,11-12H2,1H3/b16-10+/t14-/m0/s1
InChIKeyFELISDZOZKFUGN-KNGSKEOJSA-N
MW260.34 g/mol
LogP3.23
Rot. Bonds6

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

(4S)-4-benzyl-3-[(E)-pentylideneamino]-1,3-oxazolidin-2-one (PubChem CID 12064995) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(E)-pentylideneamino]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(E)-pentylideneamino]-1,3-oxazolidin-2-one
PubChem CID12064995
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(4S)-4-benzyl-3-[(E)-pentylideneamino]-1,3-oxazolidin-2-one
SMILESCCCC/C=N/N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-2-3-7-10-16-17-14(12-19-15(17)18)11-13-8-5-4-6-9-13/h4-6,8-10,14H,2-3,7,11-12H2,1H3/b16-10+/t14-/m0/s1
InChIKeyFELISDZOZKFUGN-KNGSKEOJSA-N
XLogP3.23
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.23
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)-pentylideneamino]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(E)-pentylideneamino]-1,3-oxazolidin-2-one (CID 12064995) is (4S)-4-benzyl-3-[(E)-pentylideneamino]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(E)-pentylideneamino]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(E)-pentylideneamino]-1,3-oxazolidin-2-one is CCCC/C=N/N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(E)-pentylideneamino]-1,3-oxazolidin-2-one?
The InChIKey is FELISDZOZKFUGN-KNGSKEOJSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-3-7-10-16-17-14(12-19-15(17)18)11-13-8-5-4-6-9-13/h4-6,8-10,14H,2-3,7,11-12H2,1H3/b16-10+/t14-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(E)-pentylideneamino]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(E)-pentylideneamino]-1,3-oxazolidin-2-one has a molecular weight of 260.34 g/mol, XLogP of 3.23, 6 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)-pentylideneamino]-1,3-oxazolidin-2-one is sourced from PubChem (CID 12064995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).