N-[(Z)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoyl]benzamide

C13H12N2O4 — CID 177479355

IUPACN-[(Z)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoyl]benzamide
SMILESO=C(/C=C\N1CCOC1=O)NC(=O)c1ccccc1
InChIInChI=1S/C13H12N2O4/c16-11(6-7-15-8-9-19-13(15)18)14-12(17)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,16,17)/b7-6-
InChIKeyPFGLOCDIGDQYNP-SREVYHEPSA-N
MW260.25 g/mol
LogP0.91
Rot. Bonds3

About N-[(Z)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoyl]benzamide

N-[(Z)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoyl]benzamide (PubChem CID 177479355) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-[(Z)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoyl]benzamide
PubChem CID177479355
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC NameN-[(Z)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoyl]benzamide
SMILESO=C(/C=C\N1CCOC1=O)NC(=O)c1ccccc1
InChIInChI=1S/C13H12N2O4/c16-11(6-7-15-8-9-19-13(15)18)14-12(17)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,16,17)/b7-6-
InChIKeyPFGLOCDIGDQYNP-SREVYHEPSA-N
XLogP0.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-benzyl-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enamide
CID 101460563
3-[(E)-2-phenylprop-1-enyl]-1,3-oxazolidin-2-one
CID 101211960
3-[(1E,8Z)-9-hydroxy-7-oxo-9-phenylnona-1,8-dienyl]-1,3-oxazolidin-2-one
CID 134942241
3-[(E)-2-(2-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
CID 122402062
ethyl (E)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoate
CID 101460562
3-[(E)-2-[dimethyl(phenyl)silyl]-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132504006
(Z)-2-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylbut-2-enoic acid
CID 177477909
3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene
CID 142842352
N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 2987060
3-(3-oxo-1,3-diphenylpropyl)-1,3-oxazolidin-2-one
CID 11403687
3-[(Z)-2-(4-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
CID 73056739
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoyl]benzamide?
The IUPAC name of N-[(Z)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoyl]benzamide (CID 177479355) is N-[(Z)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoyl]benzamide.
What is the SMILES notation for N-[(Z)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoyl]benzamide?
The canonical SMILES for N-[(Z)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoyl]benzamide is O=C(/C=C\N1CCOC1=O)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoyl]benzamide?
The InChIKey is PFGLOCDIGDQYNP-SREVYHEPSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-11(6-7-15-8-9-19-13(15)18)14-12(17)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,16,17)/b7-6-.
What are the key properties of N-[(Z)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoyl]benzamide?
N-[(Z)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoyl]benzamide has a molecular weight of 260.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoyl]benzamide is sourced from PubChem (CID 177479355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).