4-benzyl-4-ethyl-2-prop-2-enoyl-1,3-oxazolidin-5-one

C15H17NO3 — CID 67784647

IUPAC4-benzyl-4-ethyl-2-prop-2-enoyl-1,3-oxazolidin-5-one
SMILESC=CC(=O)C1NC(CC)(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C15H17NO3/c1-3-12(17)13-16-15(4-2,14(18)19-13)10-11-8-6-5-7-9-11/h3,5-9,13,16H,1,4,10H2,2H3
InChIKeyLNFPTTNBANEFRQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.61
Rot. Bonds5

About 4-benzyl-4-ethyl-2-prop-2-enoyl-1,3-oxazolidin-5-one

4-benzyl-4-ethyl-2-prop-2-enoyl-1,3-oxazolidin-5-one (PubChem CID 67784647) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-benzyl-4-ethyl-2-prop-2-enoyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name4-benzyl-4-ethyl-2-prop-2-enoyl-1,3-oxazolidin-5-one
PubChem CID67784647
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name4-benzyl-4-ethyl-2-prop-2-enoyl-1,3-oxazolidin-5-one
SMILESC=CC(=O)C1NC(CC)(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C15H17NO3/c1-3-12(17)13-16-15(4-2,14(18)19-13)10-11-8-6-5-7-9-11/h3,5-9,13,16H,1,4,10H2,2H3
InChIKeyLNFPTTNBANEFRQ-UHFFFAOYSA-N
XLogP1.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-benzyl-4-ethyl-2-prop-2-enoyl-1,3-oxazolidin-5-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 4-benzyl-4-ethyl-2-prop-2-enoyl-1,3-oxazolidin-5-one?
The IUPAC name of 4-benzyl-4-ethyl-2-prop-2-enoyl-1,3-oxazolidin-5-one (CID 67784647) is 4-benzyl-4-ethyl-2-prop-2-enoyl-1,3-oxazolidin-5-one.
What is the SMILES notation for 4-benzyl-4-ethyl-2-prop-2-enoyl-1,3-oxazolidin-5-one?
The canonical SMILES for 4-benzyl-4-ethyl-2-prop-2-enoyl-1,3-oxazolidin-5-one is C=CC(=O)C1NC(CC)(Cc2ccccc2)C(=O)O1.
What is the InChIKey of 4-benzyl-4-ethyl-2-prop-2-enoyl-1,3-oxazolidin-5-one?
The InChIKey is LNFPTTNBANEFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-12(17)13-16-15(4-2,14(18)19-13)10-11-8-6-5-7-9-11/h3,5-9,13,16H,1,4,10H2,2H3.
What are the key properties of 4-benzyl-4-ethyl-2-prop-2-enoyl-1,3-oxazolidin-5-one?
4-benzyl-4-ethyl-2-prop-2-enoyl-1,3-oxazolidin-5-one has a molecular weight of 259.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-4-ethyl-2-prop-2-enoyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 67784647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).