2-phenyl-1-[(4S)-4-propyl-2-selanylidene-1,3-oxazolidin-3-yl]propan-1-one

C15H19NO2Se — CID 10448903

IUPAC2-phenyl-1-[(4S)-4-propyl-2-selanylidene-1,3-oxazolidin-3-yl]propan-1-one
SMILESCCC[C@H]1COC(=[Se])N1C(=O)C(C)c1ccccc1
InChIInChI=1S/C15H19NO2Se/c1-3-7-13-10-18-15(19)16(13)14(17)11(2)12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10H2,1-2H3/t11?,13-/m0/s1
InChIKeyBFZILTLGEJYGPB-YUZLPWPTSA-N
MW324.28 g/mol
LogP2.07
Rot. Bonds4

About 2-phenyl-1-[(4S)-4-propyl-2-selanylidene-1,3-oxazolidin-3-yl]propan-1-one

2-phenyl-1-[(4S)-4-propyl-2-selanylidene-1,3-oxazolidin-3-yl]propan-1-one (PubChem CID 10448903) has the molecular formula C15H19NO2Se and a molecular weight of 324.28 g/mol. Its IUPAC name is 2-phenyl-1-[(4S)-4-propyl-2-selanylidene-1,3-oxazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name2-phenyl-1-[(4S)-4-propyl-2-selanylidene-1,3-oxazolidin-3-yl]propan-1-one
PubChem CID10448903
Molecular FormulaC15H19NO2Se
Molecular Weight324.28 g/mol
Exact Mass325.06
IUPAC Name2-phenyl-1-[(4S)-4-propyl-2-selanylidene-1,3-oxazolidin-3-yl]propan-1-one
SMILESCCC[C@H]1COC(=[Se])N1C(=O)C(C)c1ccccc1
InChIInChI=1S/C15H19NO2Se/c1-3-7-13-10-18-15(19)16(13)14(17)11(2)12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10H2,1-2H3/t11?,13-/m0/s1
InChIKeyBFZILTLGEJYGPB-YUZLPWPTSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[(4S)-4-propyl-2-selanylidene-1,3-oxazolidin-3-yl]propan-1-one?
The IUPAC name of 2-phenyl-1-[(4S)-4-propyl-2-selanylidene-1,3-oxazolidin-3-yl]propan-1-one (CID 10448903) is 2-phenyl-1-[(4S)-4-propyl-2-selanylidene-1,3-oxazolidin-3-yl]propan-1-one.
What is the SMILES notation for 2-phenyl-1-[(4S)-4-propyl-2-selanylidene-1,3-oxazolidin-3-yl]propan-1-one?
The canonical SMILES for 2-phenyl-1-[(4S)-4-propyl-2-selanylidene-1,3-oxazolidin-3-yl]propan-1-one is CCC[C@H]1COC(=[Se])N1C(=O)C(C)c1ccccc1.
What is the InChIKey of 2-phenyl-1-[(4S)-4-propyl-2-selanylidene-1,3-oxazolidin-3-yl]propan-1-one?
The InChIKey is BFZILTLGEJYGPB-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H19NO2Se/c1-3-7-13-10-18-15(19)16(13)14(17)11(2)12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10H2,1-2H3/t11?,13-/m0/s1.
What are the key properties of 2-phenyl-1-[(4S)-4-propyl-2-selanylidene-1,3-oxazolidin-3-yl]propan-1-one?
2-phenyl-1-[(4S)-4-propyl-2-selanylidene-1,3-oxazolidin-3-yl]propan-1-one has a molecular weight of 324.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[(4S)-4-propyl-2-selanylidene-1,3-oxazolidin-3-yl]propan-1-one is sourced from PubChem (CID 10448903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).