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

C19H20N2O2 — CID 11301287

IUPAC(4S)-4-benzhydryl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one
SMILESCC/C=N/N1C(=O)OC[C@@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-2-13-20-21-17(14-23-19(21)22)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,17-18H,2,14H2,1H3/b20-13+/t17-/m1/s1
InChIKeyVOUXKGGLMCJXSL-UOBPLZBXSA-N
MW308.38 g/mol
LogP4.04
Rot. Bonds5

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

(4S)-4-benzhydryl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one (PubChem CID 11301287) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (4S)-4-benzhydryl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzhydryl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one
PubChem CID11301287
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(4S)-4-benzhydryl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one
SMILESCC/C=N/N1C(=O)OC[C@@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-2-13-20-21-17(14-23-19(21)22)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,17-18H,2,14H2,1H3/b20-13+/t17-/m1/s1
InChIKeyVOUXKGGLMCJXSL-UOBPLZBXSA-N
XLogP4.04
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-4-benzhydryl-3-[(E)-propylideneamino]-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)-4-benzhydryl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzhydryl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one (CID 11301287) is (4S)-4-benzhydryl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzhydryl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzhydryl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one is CC/C=N/N1C(=O)OC[C@@H]1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-4-benzhydryl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one?
The InChIKey is VOUXKGGLMCJXSL-UOBPLZBXSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-13-20-21-17(14-23-19(21)22)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,17-18H,2,14H2,1H3/b20-13+/t17-/m1/s1.
What are the key properties of (4S)-4-benzhydryl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one?
(4S)-4-benzhydryl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one has a molecular weight of 308.38 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzhydryl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11301287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).