2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide

C16H8Cl2FN3O4 — CID 84553164

IUPAC2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1coc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H8Cl2FN3O4/c17-10-3-1-8(5-11(10)18)16-21-13(7-26-16)15(23)20-9-2-4-14(22(24)25)12(19)6-9/h1-7H,(H,20,23)
InChIKeyYERQXJLJOLBHMA-UHFFFAOYSA-N
MW396.16 g/mol
LogP4.95
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide

2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 84553164) has the molecular formula C16H8Cl2FN3O4 and a molecular weight of 396.16 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide
PubChem CID84553164
Molecular FormulaC16H8Cl2FN3O4
Molecular Weight396.16 g/mol
Exact Mass394.99
IUPAC Name2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1coc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H8Cl2FN3O4/c17-10-3-1-8(5-11(10)18)16-21-13(7-26-16)15(23)20-9-2-4-14(22(24)25)12(19)6-9/h1-7H,(H,20,23)
InChIKeyYERQXJLJOLBHMA-UHFFFAOYSA-N
XLogP4.95
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.16
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide 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-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 84552881
2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 84552918
N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552776
N-(3,4-dichlorophenyl)-3-fluoro-4-nitrobenzamide
CID 62680379
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552922
2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide
CID 106687096
3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide
CID 103852321
2-(3,4-dichlorophenyl)-N-(2-methyl-5-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 84552907
2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 84552982
5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 107372132
2-(3,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 84552904
2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 114918756

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide (CID 84553164) is 2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide is O=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1coc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is YERQXJLJOLBHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2FN3O4/c17-10-3-1-8(5-11(10)18)16-21-13(7-26-16)15(23)20-9-2-4-14(22(24)25)12(19)6-9/h1-7H,(H,20,23).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide?
2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 396.16 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 84553164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).