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

C13H16N2O2 — CID 11736426

IUPAC(4S)-4-benzyl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one
SMILESCC/C=N/N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-2-8-14-15-12(10-17-13(15)16)9-11-6-4-3-5-7-11/h3-8,12H,2,9-10H2,1H3/b14-8+/t12-/m0/s1
InChIKeyLQOPQDUYISKTEZ-ACLQVGRQSA-N
MW232.28 g/mol
LogP2.45
Rot. Bonds4

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

(4S)-4-benzyl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one (PubChem CID 11736426) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one
PubChem CID11736426
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(4S)-4-benzyl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one
SMILESCC/C=N/N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-2-8-14-15-12(10-17-13(15)16)9-11-6-4-3-5-7-11/h3-8,12H,2,9-10H2,1H3/b14-8+/t12-/m0/s1
InChIKeyLQOPQDUYISKTEZ-ACLQVGRQSA-N
XLogP2.45
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)-propylideneamino]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one (CID 11736426) is (4S)-4-benzyl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one is CC/C=N/N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one?
The InChIKey is LQOPQDUYISKTEZ-ACLQVGRQSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-8-14-15-12(10-17-13(15)16)9-11-6-4-3-5-7-11/h3-8,12H,2,9-10H2,1H3/b14-8+/t12-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one has a molecular weight of 232.28 g/mol, XLogP of 2.45, 4 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)-propylideneamino]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11736426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).