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

C17H13N5O — CID 53171722

IUPAC5-(4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3ccc(-n4cccn4)nc3)no2)cc1
InChIInChI=1S/C17H13N5O/c1-12-3-5-13(6-4-12)17-20-16(21-23-17)14-7-8-15(18-11-14)22-10-2-9-19-22/h2-11H,1H3
InChIKeyACPQPGGYZFTHGA-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.29
Rot. Bonds3

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

5-(4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 53171722) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID53171722
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name5-(4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3ccc(-n4cccn4)nc3)no2)cc1
InChIInChI=1S/C17H13N5O/c1-12-3-5-13(6-4-12)17-20-16(21-23-17)14-7-8-15(18-11-14)22-10-2-9-19-22/h2-11H,1H3
InChIKeyACPQPGGYZFTHGA-UHFFFAOYSA-N
XLogP3.29
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,3-benzodioxol-5-yl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 53171737
5-(2,4-difluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 53171732
3-(6-methylquinolin-2-yl)-5-(4-pyrazol-1-ylphenyl)-1,2,4-oxadiazole
CID 157444947
3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 53037167
3-(4-methylphenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527948
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 752268
3-(6-imidazol-1-yl-3-pyridinyl)-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
CID 53171763
3-(6-imidazol-1-yl-3-pyridinyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 53171748
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 120955741
N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698800
5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 53037210

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole (CID 53171722) is 5-(4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole is Cc1ccc(-c2nc(-c3ccc(-n4cccn4)nc3)no2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is ACPQPGGYZFTHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-12-3-5-13(6-4-12)17-20-16(21-23-17)14-7-8-15(18-11-14)22-10-2-9-19-22/h2-11H,1H3.
What are the key properties of 5-(4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
5-(4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 303.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53171722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).