2-fluoro-4-nitrobenzaldehyde;5-(2-fluoro-4-nitrophenyl)-1,3-oxazole

C16H9F2N3O6 — CID 165010618

IUPAC2-fluoro-4-nitrobenzaldehyde;5-(2-fluoro-4-nitrophenyl)-1,3-oxazole
SMILESO=Cc1ccc([N+](=O)[O-])cc1F.O=[N+]([O-])c1ccc(-c2cnco2)c(F)c1
InChIInChI=1S/C9H5FN2O3.C7H4FNO3/c10-8-3-6(12(13)14)1-2-7(8)9-4-11-5-15-9;8-7-3-6(9(11)12)2-1-5(7)4-10/h1-5H;1-4H
InChIKeyJQLUTWRIGLVLOS-UHFFFAOYSA-N
MW377.26 g/mol
LogP3.94
Rot. Bonds4

About 2-fluoro-4-nitrobenzaldehyde;5-(2-fluoro-4-nitrophenyl)-1,3-oxazole

2-fluoro-4-nitrobenzaldehyde;5-(2-fluoro-4-nitrophenyl)-1,3-oxazole (PubChem CID 165010618) has the molecular formula C16H9F2N3O6 and a molecular weight of 377.26 g/mol. Its IUPAC name is 2-fluoro-4-nitrobenzaldehyde;5-(2-fluoro-4-nitrophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-fluoro-4-nitrobenzaldehyde;5-(2-fluoro-4-nitrophenyl)-1,3-oxazole
PubChem CID165010618
Molecular FormulaC16H9F2N3O6
Molecular Weight377.26 g/mol
Exact Mass377.05
IUPAC Name2-fluoro-4-nitrobenzaldehyde;5-(2-fluoro-4-nitrophenyl)-1,3-oxazole
SMILESO=Cc1ccc([N+](=O)[O-])cc1F.O=[N+]([O-])c1ccc(-c2cnco2)c(F)c1
InChIInChI=1S/C9H5FN2O3.C7H4FNO3/c10-8-3-6(12(13)14)1-2-7(8)9-4-11-5-15-9;8-7-3-6(9(11)12)2-1-5(7)4-10/h1-5H;1-4H
InChIKeyJQLUTWRIGLVLOS-UHFFFAOYSA-N
XLogP3.94
TPSA129.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-nitrobenzaldehyde;5-(2-fluoro-4-nitrophenyl)-1,3-oxazole 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

5-(4-Nitrophenyl)-1,3-oxazole
CID 2737068
N-[4-(5-oxazolyl)phenyl]benzamide
CID 2739167
2,4-difluoro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 2739169
4-(1,3-Oxazol-5-yl)aniline
CID 517747
5-(4-Bromo-phenyl)-2-(4-nitro-phenyl)-oxazole
CID 341154
1-(5-(4-Nitrophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110643
1-(5-(2-Nitrophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110693
1-(5-(3-Nitrophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110698
1-(4-Oxazol-5-yl-phenyl)-3-m-tolyl-urea
CID 22946285
N-benzoyl-N'-[4-(1,3-oxazol-5-yl)phenyl]urea
CID 2806312
N-[4-(1,3-oxazol-5-yl)phenyl]-N'-[4-(trifluoromethyl)benzoyl]urea
CID 2806315
5-(2-Nitrophenyl)oxazole
CID 2777272

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-nitrobenzaldehyde;5-(2-fluoro-4-nitrophenyl)-1,3-oxazole?
The IUPAC name of 2-fluoro-4-nitrobenzaldehyde;5-(2-fluoro-4-nitrophenyl)-1,3-oxazole (CID 165010618) is 2-fluoro-4-nitrobenzaldehyde;5-(2-fluoro-4-nitrophenyl)-1,3-oxazole.
What is the SMILES notation for 2-fluoro-4-nitrobenzaldehyde;5-(2-fluoro-4-nitrophenyl)-1,3-oxazole?
The canonical SMILES for 2-fluoro-4-nitrobenzaldehyde;5-(2-fluoro-4-nitrophenyl)-1,3-oxazole is O=Cc1ccc([N+](=O)[O-])cc1F.O=[N+]([O-])c1ccc(-c2cnco2)c(F)c1.
What is the InChIKey of 2-fluoro-4-nitrobenzaldehyde;5-(2-fluoro-4-nitrophenyl)-1,3-oxazole?
The InChIKey is JQLUTWRIGLVLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O3.C7H4FNO3/c10-8-3-6(12(13)14)1-2-7(8)9-4-11-5-15-9;8-7-3-6(9(11)12)2-1-5(7)4-10/h1-5H;1-4H.
What are the key properties of 2-fluoro-4-nitrobenzaldehyde;5-(2-fluoro-4-nitrophenyl)-1,3-oxazole?
2-fluoro-4-nitrobenzaldehyde;5-(2-fluoro-4-nitrophenyl)-1,3-oxazole has a molecular weight of 377.26 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-nitrobenzaldehyde;5-(2-fluoro-4-nitrophenyl)-1,3-oxazole is sourced from PubChem (CID 165010618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).