5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-1,2-oxazole

C14H8F2N2O — CID 19957274

IUPAC5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-1,2-oxazole
SMILESFc1ccc(-c2oncc2-c2ccnc(F)c2)cc1
InChIInChI=1S/C14H8F2N2O/c15-11-3-1-9(2-4-11)14-12(8-18-19-14)10-5-6-17-13(16)7-10/h1-8H
InChIKeyPNOAYSMMTNBJRJ-UHFFFAOYSA-N
MW258.23 g/mol
LogP3.68
Rot. Bonds2

About 5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-1,2-oxazole

5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-1,2-oxazole (PubChem CID 19957274) has the molecular formula C14H8F2N2O and a molecular weight of 258.23 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-1,2-oxazole
PubChem CID19957274
Molecular FormulaC14H8F2N2O
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-1,2-oxazole
SMILESFc1ccc(-c2oncc2-c2ccnc(F)c2)cc1
InChIInChI=1S/C14H8F2N2O/c15-11-3-1-9(2-4-11)14-12(8-18-19-14)10-5-6-17-13(16)7-10/h1-8H
InChIKeyPNOAYSMMTNBJRJ-UHFFFAOYSA-N
XLogP3.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-1,2-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-1,2-oxazole (CID 19957274) is 5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-1,2-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-1,2-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-1,2-oxazole is Fc1ccc(-c2oncc2-c2ccnc(F)c2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-1,2-oxazole?
The InChIKey is PNOAYSMMTNBJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O/c15-11-3-1-9(2-4-11)14-12(8-18-19-14)10-5-6-17-13(16)7-10/h1-8H.
What are the key properties of 5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-1,2-oxazole?
5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-1,2-oxazole has a molecular weight of 258.23 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-1,2-oxazole is sourced from PubChem (CID 19957274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).