ethane;(5R)-5-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-3-prop-2-ynyl-1,3-oxazolidin-2-one

C15H21NO2 — CID 143505654

IUPACethane;(5R)-5-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-3-prop-2-ynyl-1,3-oxazolidin-2-one
SMILESC#CCN1C(=O)O[C@H](/C(C=C)=C/C=C)C1C.CC
InChIInChI=1S/C13H15NO2.C2H6/c1-5-8-11(7-3)12-10(4)14(9-6-2)13(15)16-12;1-2/h2,5,7-8,10,12H,1,3,9H2,4H3;1-2H3/b11-8+;/t10?,12-;/m0./s1
InChIKeyOSAKPMOSVSKNDA-PGGAZYQNSA-N
MW247.34 g/mol
LogP3.15
Rot. Bonds4

About ethane;(5R)-5-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-3-prop-2-ynyl-1,3-oxazolidin-2-one

ethane;(5R)-5-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-3-prop-2-ynyl-1,3-oxazolidin-2-one (PubChem CID 143505654) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethane;(5R)-5-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-3-prop-2-ynyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethane;(5R)-5-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-3-prop-2-ynyl-1,3-oxazolidin-2-one
PubChem CID143505654
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethane;(5R)-5-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-3-prop-2-ynyl-1,3-oxazolidin-2-one
SMILESC#CCN1C(=O)O[C@H](/C(C=C)=C/C=C)C1C.CC
InChIInChI=1S/C13H15NO2.C2H6/c1-5-8-11(7-3)12-10(4)14(9-6-2)13(15)16-12;1-2/h2,5,7-8,10,12H,1,3,9H2,4H3;1-2H3/b11-8+;/t10?,12-;/m0./s1
InChIKeyOSAKPMOSVSKNDA-PGGAZYQNSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(5R)-5-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-3-prop-2-ynyl-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 ethane;(5R)-5-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-3-prop-2-ynyl-1,3-oxazolidin-2-one?
The IUPAC name of ethane;(5R)-5-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-3-prop-2-ynyl-1,3-oxazolidin-2-one (CID 143505654) is ethane;(5R)-5-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-3-prop-2-ynyl-1,3-oxazolidin-2-one.
What is the SMILES notation for ethane;(5R)-5-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-3-prop-2-ynyl-1,3-oxazolidin-2-one?
The canonical SMILES for ethane;(5R)-5-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-3-prop-2-ynyl-1,3-oxazolidin-2-one is C#CCN1C(=O)O[C@H](/C(C=C)=C/C=C)C1C.CC.
What is the InChIKey of ethane;(5R)-5-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-3-prop-2-ynyl-1,3-oxazolidin-2-one?
The InChIKey is OSAKPMOSVSKNDA-PGGAZYQNSA-N. The full InChI is InChI=1S/C13H15NO2.C2H6/c1-5-8-11(7-3)12-10(4)14(9-6-2)13(15)16-12;1-2/h2,5,7-8,10,12H,1,3,9H2,4H3;1-2H3/b11-8+;/t10?,12-;/m0./s1.
What are the key properties of ethane;(5R)-5-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-3-prop-2-ynyl-1,3-oxazolidin-2-one?
ethane;(5R)-5-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-3-prop-2-ynyl-1,3-oxazolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5R)-5-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-3-prop-2-ynyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 143505654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).