2-[2-(2-fluoro-4-nitrophenyl)ethenyl]-1,3-oxazole

C11H7FN2O3 — CID 175955987

IUPAC2-[2-(2-fluoro-4-nitrophenyl)ethenyl]-1,3-oxazole
SMILESO=[N+]([O-])c1ccc(C=Cc2ncco2)c(F)c1
InChIInChI=1S/C11H7FN2O3/c12-10-7-9(14(15)16)3-1-8(10)2-4-11-13-5-6-17-11/h1-7H
InChIKeyTYPQOFYNTYHUDQ-UHFFFAOYSA-N
MW234.19 g/mol
LogP2.89
Rot. Bonds3

About 2-[2-(2-fluoro-4-nitrophenyl)ethenyl]-1,3-oxazole

2-[2-(2-fluoro-4-nitrophenyl)ethenyl]-1,3-oxazole (PubChem CID 175955987) has the molecular formula C11H7FN2O3 and a molecular weight of 234.19 g/mol. Its IUPAC name is 2-[2-(2-fluoro-4-nitrophenyl)ethenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(2-fluoro-4-nitrophenyl)ethenyl]-1,3-oxazole
PubChem CID175955987
Molecular FormulaC11H7FN2O3
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name2-[2-(2-fluoro-4-nitrophenyl)ethenyl]-1,3-oxazole
SMILESO=[N+]([O-])c1ccc(C=Cc2ncco2)c(F)c1
InChIInChI=1S/C11H7FN2O3/c12-10-7-9(14(15)16)3-1-8(10)2-4-11-13-5-6-17-11/h1-7H
InChIKeyTYPQOFYNTYHUDQ-UHFFFAOYSA-N
XLogP2.89
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 52.89
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-4-nitrophenyl)ethenyl]-1,3-oxazole?
The IUPAC name of 2-[2-(2-fluoro-4-nitrophenyl)ethenyl]-1,3-oxazole (CID 175955987) is 2-[2-(2-fluoro-4-nitrophenyl)ethenyl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(2-fluoro-4-nitrophenyl)ethenyl]-1,3-oxazole?
The canonical SMILES for 2-[2-(2-fluoro-4-nitrophenyl)ethenyl]-1,3-oxazole is O=[N+]([O-])c1ccc(C=Cc2ncco2)c(F)c1.
What is the InChIKey of 2-[2-(2-fluoro-4-nitrophenyl)ethenyl]-1,3-oxazole?
The InChIKey is TYPQOFYNTYHUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3/c12-10-7-9(14(15)16)3-1-8(10)2-4-11-13-5-6-17-11/h1-7H.
What are the key properties of 2-[2-(2-fluoro-4-nitrophenyl)ethenyl]-1,3-oxazole?
2-[2-(2-fluoro-4-nitrophenyl)ethenyl]-1,3-oxazole has a molecular weight of 234.19 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-4-nitrophenyl)ethenyl]-1,3-oxazole is sourced from PubChem (CID 175955987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).