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

C16H10ClN5O — CID 53171746

IUPAC5-(2-chlorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESClc1ccccc1-c1nc(-c2ccc(-n3cccn3)nc2)no1
InChIInChI=1S/C16H10ClN5O/c17-13-5-2-1-4-12(13)16-20-15(21-23-16)11-6-7-14(18-10-11)22-9-3-8-19-22/h1-10H
InChIKeyHFGGQMBABDYQHF-UHFFFAOYSA-N
MW323.74 g/mol
LogP3.64
Rot. Bonds3

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

5-(2-chlorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 53171746) has the molecular formula C16H10ClN5O and a molecular weight of 323.74 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID53171746
Molecular FormulaC16H10ClN5O
Molecular Weight323.74 g/mol
Exact Mass323.06
IUPAC Name5-(2-chlorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESClc1ccccc1-c1nc(-c2ccc(-n3cccn3)nc2)no1
InChIInChI=1S/C16H10ClN5O/c17-13-5-2-1-4-12(13)16-20-15(21-23-16)11-6-7-14(18-10-11)22-9-3-8-19-22/h1-10H
InChIKeyHFGGQMBABDYQHF-UHFFFAOYSA-N
XLogP3.64
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chlorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole (CID 53171746) is 5-(2-chlorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole is Clc1ccccc1-c1nc(-c2ccc(-n3cccn3)nc2)no1.
What is the InChIKey of 5-(2-chlorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is HFGGQMBABDYQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5O/c17-13-5-2-1-4-12(13)16-20-15(21-23-16)11-6-7-14(18-10-11)22-9-3-8-19-22/h1-10H.
What are the key properties of 5-(2-chlorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
5-(2-chlorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 323.74 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53171746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).