3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C19H19NO3 — CID 175509313

IUPAC3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1C(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C19H19NO3/c1-13(2)17-12-23-19(22)20(17)18(21)11-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-11,13,17H,12H2,1-2H3/b11-10+
InChIKeyQYTAZGVEUUHILD-ZHACJKMWSA-N
MW309.37 g/mol
LogP3.86
Rot. Bonds3

About 3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 175509313) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID175509313
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1C(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C19H19NO3/c1-13(2)17-12-23-19(22)20(17)18(21)11-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-11,13,17H,12H2,1-2H3/b11-10+
InChIKeyQYTAZGVEUUHILD-ZHACJKMWSA-N
XLogP3.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-propan-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)-3-naphthalen-1-ylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 175509313) is 3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1C(=O)/C=C/c1cccc2ccccc12.
What is the InChIKey of 3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is QYTAZGVEUUHILD-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13(2)17-12-23-19(22)20(17)18(21)11-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-11,13,17H,12H2,1-2H3/b11-10+.
What are the key properties of 3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 175509313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).