(4E)-4-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one

C16H12N2O4 — CID 138858138

IUPAC(4E)-4-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC/C(=C\c2ccc([N+](=O)[O-])cc2)N1c1ccccc1
InChIInChI=1S/C16H12N2O4/c19-16-17(13-4-2-1-3-5-13)15(11-22-16)10-12-6-8-14(9-7-12)18(20)21/h1-10H,11H2/b15-10+
InChIKeyFYLYCIVGHGOMGR-XNTDXEJSSA-N
MW296.28 g/mol
LogP3.59
Rot. Bonds3

About (4E)-4-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one

(4E)-4-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 138858138) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is (4E)-4-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4E)-4-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID138858138
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name(4E)-4-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC/C(=C\c2ccc([N+](=O)[O-])cc2)N1c1ccccc1
InChIInChI=1S/C16H12N2O4/c19-16-17(13-4-2-1-3-5-13)15(11-22-16)10-12-6-8-14(9-7-12)18(20)21/h1-10H,11H2/b15-10+
InChIKeyFYLYCIVGHGOMGR-XNTDXEJSSA-N
XLogP3.59
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-benzylidene-3-(4-chlorophenyl)-1,3-oxazolidin-2-one
CID 134098311
(3E)-3-[(4-nitrophenyl)methylidene]-1-phenylindol-2-one
CID 126204727
3-phenyl-1,3-oxazolidine-2,4-dione
CID 10888463
(4Z)-4-[(4-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 2247653
3-methyl-5-[(4-nitrophenyl)methylidene]furan-2-one
CID 131878309
3-(4-nitroanilino)-1-phenylpyrrolidine-2,5-dione
CID 19163761
(5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one
CID 2270690
2-[(4-nitrophenyl)methylsulfanyl]-1-phenyl-4H-imidazol-5-one
CID 135592274
(3E)-3-[(4-nitrophenyl)methylidene]-1-benzofuran-2-one
CID 14203214
(2R,4S,6S)-2,4-bis(4-nitrophenyl)-6-phenyl-1,3-dioxane
CID 100817075
(3E)-3-[(4-nitrophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 6139214
5-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2917287

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4E)-4-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one (CID 138858138) is (4E)-4-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4E)-4-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4E)-4-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one is O=C1OC/C(=C\c2ccc([N+](=O)[O-])cc2)N1c1ccccc1.
What is the InChIKey of (4E)-4-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is FYLYCIVGHGOMGR-XNTDXEJSSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-16-17(13-4-2-1-3-5-13)15(11-22-16)10-12-6-8-14(9-7-12)18(20)21/h1-10H,11H2/b15-10+.
What are the key properties of (4E)-4-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one?
(4E)-4-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 296.28 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 138858138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).