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

C14H8ClFN2O — CID 22909036

IUPAC4-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole
SMILESFc1ccc(-c2oncc2-c2ccnc(Cl)c2)cc1
InChIInChI=1S/C14H8ClFN2O/c15-13-7-10(5-6-17-13)12-8-18-19-14(12)9-1-3-11(16)4-2-9/h1-8H
InChIKeyLFFCHMLRMVUUEL-UHFFFAOYSA-N
MW274.68 g/mol
LogP4.20
Rot. Bonds2

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

4-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole (PubChem CID 22909036) has the molecular formula C14H8ClFN2O and a molecular weight of 274.68 g/mol. Its IUPAC name is 4-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole
PubChem CID22909036
Molecular FormulaC14H8ClFN2O
Molecular Weight274.68 g/mol
Exact Mass274.03
IUPAC Name4-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole
SMILESFc1ccc(-c2oncc2-c2ccnc(Cl)c2)cc1
InChIInChI=1S/C14H8ClFN2O/c15-13-7-10(5-6-17-13)12-8-18-19-14(12)9-1-3-11(16)4-2-9/h1-8H
InChIKeyLFFCHMLRMVUUEL-UHFFFAOYSA-N
XLogP4.20
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 54.20
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 4-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole?
The IUPAC name of 4-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole (CID 22909036) is 4-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole.
What is the SMILES notation for 4-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole?
The canonical SMILES for 4-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole is Fc1ccc(-c2oncc2-c2ccnc(Cl)c2)cc1.
What is the InChIKey of 4-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole?
The InChIKey is LFFCHMLRMVUUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O/c15-13-7-10(5-6-17-13)12-8-18-19-14(12)9-1-3-11(16)4-2-9/h1-8H.
What are the key properties of 4-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole?
4-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole has a molecular weight of 274.68 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole is sourced from PubChem (CID 22909036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).