3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one

C17H15NO3 — CID 177441765

IUPAC3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one
SMILESC/C=C(\C(=O)c1cccc2ccccc12)N1CCOC1=O
InChIInChI=1S/C17H15NO3/c1-2-15(18-10-11-21-17(18)20)16(19)14-9-5-7-12-6-3-4-8-13(12)14/h2-9H,10-11H2,1H3/b15-2+
InChIKeyVTSXRGRHQPXJHL-RSSMCMFDSA-N
MW281.31 g/mol
LogP3.38
Rot. Bonds3

About 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one

3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one (PubChem CID 177441765) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one
PubChem CID177441765
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one
SMILESC/C=C(\C(=O)c1cccc2ccccc12)N1CCOC1=O
InChIInChI=1S/C17H15NO3/c1-2-15(18-10-11-21-17(18)20)16(19)14-9-5-7-12-6-3-4-8-13(12)14/h2-9H,10-11H2,1H3/b15-2+
InChIKeyVTSXRGRHQPXJHL-RSSMCMFDSA-N
XLogP3.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-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 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one (CID 177441765) is 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one is C/C=C(\C(=O)c1cccc2ccccc12)N1CCOC1=O.
What is the InChIKey of 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is VTSXRGRHQPXJHL-RSSMCMFDSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-15(18-10-11-21-17(18)20)16(19)14-9-5-7-12-6-3-4-8-13(12)14/h2-9H,10-11H2,1H3/b15-2+.
What are the key properties of 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one?
3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 281.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 177441765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).