(4Z)-2-(2-methyl-3-nitrophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one

C20H16N2O4 — CID 19666712

IUPAC(4Z)-2-(2-methyl-3-nitrophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
SMILESCC(/C=C1\N=C(c2cccc([N+](=O)[O-])c2C)OC1=O)=C\c1ccccc1
InChIInChI=1S/C20H16N2O4/c1-13(11-15-7-4-3-5-8-15)12-17-20(23)26-19(21-17)16-9-6-10-18(14(16)2)22(24)25/h3-12H,1-2H3/b13-11+,17-12-
InChIKeyXOXNKGSEVBMIQB-YMGXUNRSSA-N
MW348.36 g/mol
LogP4.19
Rot. Bonds4

About (4Z)-2-(2-methyl-3-nitrophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one

(4Z)-2-(2-methyl-3-nitrophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one (PubChem CID 19666712) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is (4Z)-2-(2-methyl-3-nitrophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(2-methyl-3-nitrophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
PubChem CID19666712
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name(4Z)-2-(2-methyl-3-nitrophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
SMILESCC(/C=C1\N=C(c2cccc([N+](=O)[O-])c2C)OC1=O)=C\c1ccccc1
InChIInChI=1S/C20H16N2O4/c1-13(11-15-7-4-3-5-8-15)12-17-20(23)26-19(21-17)16-9-6-10-18(14(16)2)22(24)25/h3-12H,1-2H3/b13-11+,17-12-
InChIKeyXOXNKGSEVBMIQB-YMGXUNRSSA-N
XLogP4.19
TPSA81.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4Z)-2-(2-methyl-3-nitrophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-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

Related Compounds

2-(4-methyl-3-nitrophenyl)-4-(2-methyl-3-phenylprop-2-enylidene)-1,3-oxazol-5-one
CID 740518
(4Z)-2-(4-methyl-3-nitrophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 5399606
(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 6377088
2-(2-bromophenyl)-4-(2-methyl-3-phenylprop-2-enylidene)-1,3-oxazol-5-one
CID 3109504
[3-[(Z)-[2-(2-methyl-3-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
CID 19666704
(4E)-4-[(4-chlorophenyl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5-one
CID 6520664
(4E)-4-[(2-chlorophenyl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5-one
CID 6519593
(4Z)-4-[(2-iodophenyl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5-one
CID 19666697
(4Z)-4-[(3-methylphenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one
CID 1237370
4-[(2-methoxyphenyl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5-one
CID 4241911
(4Z)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5-one
CID 19666733
(4Z)-2-(2-methyl-3-nitrophenyl)-4-[(3-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 6952361

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(2-methyl-3-nitrophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(2-methyl-3-nitrophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one (CID 19666712) is (4Z)-2-(2-methyl-3-nitrophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(2-methyl-3-nitrophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(2-methyl-3-nitrophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is CC(/C=C1\N=C(c2cccc([N+](=O)[O-])c2C)OC1=O)=C\c1ccccc1.
What is the InChIKey of (4Z)-2-(2-methyl-3-nitrophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The InChIKey is XOXNKGSEVBMIQB-YMGXUNRSSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-13(11-15-7-4-3-5-8-15)12-17-20(23)26-19(21-17)16-9-6-10-18(14(16)2)22(24)25/h3-12H,1-2H3/b13-11+,17-12-.
What are the key properties of (4Z)-2-(2-methyl-3-nitrophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
(4Z)-2-(2-methyl-3-nitrophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one has a molecular weight of 348.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(2-methyl-3-nitrophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 19666712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).