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

C16H10FN5O — CID 53171726

IUPAC5-(3-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESFc1cccc(-c2nc(-c3ccc(-n4cccn4)nc3)no2)c1
InChIInChI=1S/C16H10FN5O/c17-13-4-1-3-11(9-13)16-20-15(21-23-16)12-5-6-14(18-10-12)22-8-2-7-19-22/h1-10H
InChIKeyUHJLTCWASXGZCI-UHFFFAOYSA-N
MW307.29 g/mol
LogP3.12
Rot. Bonds3

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

5-(3-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 53171726) has the molecular formula C16H10FN5O and a molecular weight of 307.29 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID53171726
Molecular FormulaC16H10FN5O
Molecular Weight307.29 g/mol
Exact Mass307.09
IUPAC Name5-(3-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESFc1cccc(-c2nc(-c3ccc(-n4cccn4)nc3)no2)c1
InChIInChI=1S/C16H10FN5O/c17-13-4-1-3-11(9-13)16-20-15(21-23-16)12-5-6-14(18-10-12)22-8-2-7-19-22/h1-10H
InChIKeyUHJLTCWASXGZCI-UHFFFAOYSA-N
XLogP3.12
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole (CID 53171726) is 5-(3-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole is Fc1cccc(-c2nc(-c3ccc(-n4cccn4)nc3)no2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is UHJLTCWASXGZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN5O/c17-13-4-1-3-11(9-13)16-20-15(21-23-16)12-5-6-14(18-10-12)22-8-2-7-19-22/h1-10H.
What are the key properties of 5-(3-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
5-(3-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 307.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53171726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).