5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C14H7ClF3N3O — CID 1472030

IUPAC5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(-c3ccc(Cl)nc3)n2)cc1
InChIInChI=1S/C14H7ClF3N3O/c15-11-6-3-9(7-19-11)13-20-12(21-22-13)8-1-4-10(5-2-8)14(16,17)18/h1-7H
InChIKeyMQZOVTJIHCZHAC-UHFFFAOYSA-N
MW325.68 g/mol
LogP4.47
Rot. Bonds2

About 5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 1472030) has the molecular formula C14H7ClF3N3O and a molecular weight of 325.68 g/mol. Its IUPAC name is 5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID1472030
Molecular FormulaC14H7ClF3N3O
Molecular Weight325.68 g/mol
Exact Mass325.02
IUPAC Name5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(-c3ccc(Cl)nc3)n2)cc1
InChIInChI=1S/C14H7ClF3N3O/c15-11-6-3-9(7-19-11)13-20-12(21-22-13)8-1-4-10(5-2-8)14(16,17)18/h1-7H
InChIKeyMQZOVTJIHCZHAC-UHFFFAOYSA-N
XLogP4.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.68
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 1472030) is 5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(-c2noc(-c3ccc(Cl)nc3)n2)cc1.
What is the InChIKey of 5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is MQZOVTJIHCZHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3N3O/c15-11-6-3-9(7-19-11)13-20-12(21-22-13)8-1-4-10(5-2-8)14(16,17)18/h1-7H.
What are the key properties of 5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 325.68 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 1472030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).