(E)-N-benzyl-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enamide

C13H14N2O3 — CID 101460563

IUPAC(E)-N-benzyl-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enamide
SMILESO=C(/C=C/N1CCOC1=O)NCc1ccccc1
InChIInChI=1S/C13H14N2O3/c16-12(6-7-15-8-9-18-13(15)17)14-10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,14,16)/b7-6+
InChIKeyVVPDBZSUZQLLRE-VOTSOKGWSA-N
MW246.27 g/mol
LogP1.27
Rot. Bonds4

About (E)-N-benzyl-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enamide

(E)-N-benzyl-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enamide (PubChem CID 101460563) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (E)-N-benzyl-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enamide
PubChem CID101460563
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(E)-N-benzyl-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enamide
SMILESO=C(/C=C/N1CCOC1=O)NCc1ccccc1
InChIInChI=1S/C13H14N2O3/c16-12(6-7-15-8-9-18-13(15)17)14-10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,14,16)/b7-6+
InChIKeyVVPDBZSUZQLLRE-VOTSOKGWSA-N
XLogP1.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enamide (CID 101460563) is (E)-N-benzyl-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enamide is O=C(/C=C/N1CCOC1=O)NCc1ccccc1.
What is the InChIKey of (E)-N-benzyl-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enamide?
The InChIKey is VVPDBZSUZQLLRE-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-12(6-7-15-8-9-18-13(15)17)14-10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,14,16)/b7-6+.
What are the key properties of (E)-N-benzyl-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enamide?
(E)-N-benzyl-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enamide has a molecular weight of 246.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enamide is sourced from PubChem (CID 101460563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).