5-(4-fluorophenyl)-4-nitro-3-phenyl-1,2-oxazole

C15H9FN2O3 — CID 71337544

IUPAC5-(4-fluorophenyl)-4-nitro-3-phenyl-1,2-oxazole
SMILESO=[N+]([O-])c1c(-c2ccccc2)noc1-c1ccc(F)cc1
InChIInChI=1S/C15H9FN2O3/c16-12-8-6-11(7-9-12)15-14(18(19)20)13(17-21-15)10-4-2-1-3-5-10/h1-9H
InChIKeyKRMFAUBOENIAHX-UHFFFAOYSA-N
MW284.25 g/mol
LogP4.06
Rot. Bonds3

About 5-(4-fluorophenyl)-4-nitro-3-phenyl-1,2-oxazole

5-(4-fluorophenyl)-4-nitro-3-phenyl-1,2-oxazole (PubChem CID 71337544) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-nitro-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-nitro-3-phenyl-1,2-oxazole
PubChem CID71337544
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name5-(4-fluorophenyl)-4-nitro-3-phenyl-1,2-oxazole
SMILESO=[N+]([O-])c1c(-c2ccccc2)noc1-c1ccc(F)cc1
InChIInChI=1S/C15H9FN2O3/c16-12-8-6-11(7-9-12)15-14(18(19)20)13(17-21-15)10-4-2-1-3-5-10/h1-9H
InChIKeyKRMFAUBOENIAHX-UHFFFAOYSA-N
XLogP4.06
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 54.06
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 5-(4-fluorophenyl)-4-nitro-3-phenyl-1,2-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-4-nitro-3-phenyl-1,2-oxazole (CID 71337544) is 5-(4-fluorophenyl)-4-nitro-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-nitro-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-nitro-3-phenyl-1,2-oxazole is O=[N+]([O-])c1c(-c2ccccc2)noc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-nitro-3-phenyl-1,2-oxazole?
The InChIKey is KRMFAUBOENIAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-12-8-6-11(7-9-12)15-14(18(19)20)13(17-21-15)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 5-(4-fluorophenyl)-4-nitro-3-phenyl-1,2-oxazole?
5-(4-fluorophenyl)-4-nitro-3-phenyl-1,2-oxazole has a molecular weight of 284.25 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-nitro-3-phenyl-1,2-oxazole is sourced from PubChem (CID 71337544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).