3-[4-(dimethylamino)but-2-ynyl]-2-phenyl-1,3-oxazolidin-4-one

C15H18N2O2 — CID 67920569

IUPAC3-[4-(dimethylamino)but-2-ynyl]-2-phenyl-1,3-oxazolidin-4-one
SMILESCN(C)CC#CCN1C(=O)COC1c1ccccc1
InChIInChI=1S/C15H18N2O2/c1-16(2)10-6-7-11-17-14(18)12-19-15(17)13-8-4-3-5-9-13/h3-5,8-9,15H,10-12H2,1-2H3
InChIKeyDILFHVYJPBFSGH-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.11
Rot. Bonds3

About 3-[4-(dimethylamino)but-2-ynyl]-2-phenyl-1,3-oxazolidin-4-one

3-[4-(dimethylamino)but-2-ynyl]-2-phenyl-1,3-oxazolidin-4-one (PubChem CID 67920569) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[4-(dimethylamino)but-2-ynyl]-2-phenyl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)but-2-ynyl]-2-phenyl-1,3-oxazolidin-4-one
PubChem CID67920569
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-[4-(dimethylamino)but-2-ynyl]-2-phenyl-1,3-oxazolidin-4-one
SMILESCN(C)CC#CCN1C(=O)COC1c1ccccc1
InChIInChI=1S/C15H18N2O2/c1-16(2)10-6-7-11-17-14(18)12-19-15(17)13-8-4-3-5-9-13/h3-5,8-9,15H,10-12H2,1-2H3
InChIKeyDILFHVYJPBFSGH-UHFFFAOYSA-N
XLogP1.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)but-2-ynyl]-2-phenyl-1,3-oxazolidin-4-one?
The IUPAC name of 3-[4-(dimethylamino)but-2-ynyl]-2-phenyl-1,3-oxazolidin-4-one (CID 67920569) is 3-[4-(dimethylamino)but-2-ynyl]-2-phenyl-1,3-oxazolidin-4-one.
What is the SMILES notation for 3-[4-(dimethylamino)but-2-ynyl]-2-phenyl-1,3-oxazolidin-4-one?
The canonical SMILES for 3-[4-(dimethylamino)but-2-ynyl]-2-phenyl-1,3-oxazolidin-4-one is CN(C)CC#CCN1C(=O)COC1c1ccccc1.
What is the InChIKey of 3-[4-(dimethylamino)but-2-ynyl]-2-phenyl-1,3-oxazolidin-4-one?
The InChIKey is DILFHVYJPBFSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-16(2)10-6-7-11-17-14(18)12-19-15(17)13-8-4-3-5-9-13/h3-5,8-9,15H,10-12H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)but-2-ynyl]-2-phenyl-1,3-oxazolidin-4-one?
3-[4-(dimethylamino)but-2-ynyl]-2-phenyl-1,3-oxazolidin-4-one has a molecular weight of 258.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)but-2-ynyl]-2-phenyl-1,3-oxazolidin-4-one is sourced from PubChem (CID 67920569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).