5-(5-chloro-2-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole

C16H9ClFN5O — CID 53171731

IUPAC5-(5-chloro-2-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESFc1ccc(Cl)cc1-c1nc(-c2ccc(-n3cccn3)nc2)no1
InChIInChI=1S/C16H9ClFN5O/c17-11-3-4-13(18)12(8-11)16-21-15(22-24-16)10-2-5-14(19-9-10)23-7-1-6-20-23/h1-9H
InChIKeyJDIPSVKACSYSAO-UHFFFAOYSA-N
MW341.73 g/mol
LogP3.78
Rot. Bonds3

About 5-(5-chloro-2-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole

5-(5-chloro-2-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 53171731) has the molecular formula C16H9ClFN5O and a molecular weight of 341.73 g/mol. Its IUPAC name is 5-(5-chloro-2-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-chloro-2-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID53171731
Molecular FormulaC16H9ClFN5O
Molecular Weight341.73 g/mol
Exact Mass341.05
IUPAC Name5-(5-chloro-2-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESFc1ccc(Cl)cc1-c1nc(-c2ccc(-n3cccn3)nc2)no1
InChIInChI=1S/C16H9ClFN5O/c17-11-3-4-13(18)12(8-11)16-21-15(22-24-16)10-2-5-14(19-9-10)23-7-1-6-20-23/h1-9H
InChIKeyJDIPSVKACSYSAO-UHFFFAOYSA-N
XLogP3.78
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.73
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-chloro-2-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole (CID 53171731) is 5-(5-chloro-2-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-chloro-2-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-chloro-2-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole is Fc1ccc(Cl)cc1-c1nc(-c2ccc(-n3cccn3)nc2)no1.
What is the InChIKey of 5-(5-chloro-2-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is JDIPSVKACSYSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFN5O/c17-11-3-4-13(18)12(8-11)16-21-15(22-24-16)10-2-5-14(19-9-10)23-7-1-6-20-23/h1-9H.
What are the key properties of 5-(5-chloro-2-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
5-(5-chloro-2-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 341.73 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53171731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).