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

C17H12FN5O — CID 53171741

IUPAC5-(3-fluoro-4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3ccc(-n4cccn4)nc3)no2)cc1F
InChIInChI=1S/C17H12FN5O/c1-11-3-4-12(9-14(11)18)17-21-16(22-24-17)13-5-6-15(19-10-13)23-8-2-7-20-23/h2-10H,1H3
InChIKeyCJNNBDIUXYADQV-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.43
Rot. Bonds3

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

5-(3-fluoro-4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 53171741) has the molecular formula C17H12FN5O and a molecular weight of 321.32 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID53171741
Molecular FormulaC17H12FN5O
Molecular Weight321.32 g/mol
Exact Mass321.10
IUPAC Name5-(3-fluoro-4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3ccc(-n4cccn4)nc3)no2)cc1F
InChIInChI=1S/C17H12FN5O/c1-11-3-4-12(9-14(11)18)17-21-16(22-24-17)13-5-6-15(19-10-13)23-8-2-7-20-23/h2-10H,1H3
InChIKeyCJNNBDIUXYADQV-UHFFFAOYSA-N
XLogP3.43
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluoro-4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole (CID 53171741) is 5-(3-fluoro-4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluoro-4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole is Cc1ccc(-c2nc(-c3ccc(-n4cccn4)nc3)no2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is CJNNBDIUXYADQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O/c1-11-3-4-12(9-14(11)18)17-21-16(22-24-17)13-5-6-15(19-10-13)23-8-2-7-20-23/h2-10H,1H3.
What are the key properties of 5-(3-fluoro-4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
5-(3-fluoro-4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 321.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53171741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).