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

C13H15FN2O2 — CID 11172733

IUPAC(4S)-3-[(E)-(2-fluorophenyl)methylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1/N=C/c1ccccc1F
InChIInChI=1S/C13H15FN2O2/c1-9(2)12-8-18-13(17)16(12)15-7-10-5-3-4-6-11(10)14/h3-7,9,12H,8H2,1-2H3/b15-7+/t12-/m1/s1
InChIKeyJZYMUOCKTKHCRP-IWTIEGKHSA-N
MW250.27 g/mol
LogP2.64
Rot. Bonds3

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

(4S)-3-[(E)-(2-fluorophenyl)methylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11172733) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is (4S)-3-[(E)-(2-fluorophenyl)methylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(E)-(2-fluorophenyl)methylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11172733
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name(4S)-3-[(E)-(2-fluorophenyl)methylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1/N=C/c1ccccc1F
InChIInChI=1S/C13H15FN2O2/c1-9(2)12-8-18-13(17)16(12)15-7-10-5-3-4-6-11(10)14/h3-7,9,12H,8H2,1-2H3/b15-7+/t12-/m1/s1
InChIKeyJZYMUOCKTKHCRP-IWTIEGKHSA-N
XLogP2.64
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-3-[(E)-(2-fluorophenyl)methylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(E)-(2-fluorophenyl)methylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(E)-(2-fluorophenyl)methylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11172733) is (4S)-3-[(E)-(2-fluorophenyl)methylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(E)-(2-fluorophenyl)methylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(E)-(2-fluorophenyl)methylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1/N=C/c1ccccc1F.
What is the InChIKey of (4S)-3-[(E)-(2-fluorophenyl)methylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is JZYMUOCKTKHCRP-IWTIEGKHSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-9(2)12-8-18-13(17)16(12)15-7-10-5-3-4-6-11(10)14/h3-7,9,12H,8H2,1-2H3/b15-7+/t12-/m1/s1.
What are the key properties of (4S)-3-[(E)-(2-fluorophenyl)methylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(E)-(2-fluorophenyl)methylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 250.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(E)-(2-fluorophenyl)methylideneamino]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11172733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).