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

C16H9F2N5O — CID 53171728

IUPAC5-(3,4-difluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(-c3ccc(-n4cccn4)nc3)no2)cc1F
InChIInChI=1S/C16H9F2N5O/c17-12-4-2-10(8-13(12)18)16-21-15(22-24-16)11-3-5-14(19-9-11)23-7-1-6-20-23/h1-9H
InChIKeyPQFHDMNPTPRUEA-UHFFFAOYSA-N
MW325.28 g/mol
LogP3.26
Rot. Bonds3

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

5-(3,4-difluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 53171728) has the molecular formula C16H9F2N5O and a molecular weight of 325.28 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID53171728
Molecular FormulaC16H9F2N5O
Molecular Weight325.28 g/mol
Exact Mass325.08
IUPAC Name5-(3,4-difluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(-c3ccc(-n4cccn4)nc3)no2)cc1F
InChIInChI=1S/C16H9F2N5O/c17-12-4-2-10(8-13(12)18)16-21-15(22-24-16)11-3-5-14(19-9-11)23-7-1-6-20-23/h1-9H
InChIKeyPQFHDMNPTPRUEA-UHFFFAOYSA-N
XLogP3.26
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-Pyridyl)-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 6463470
3-(Pyridin-2-yl)-5-(3,5-difluorophenyl)-1,2,4-oxadiazole
CID 9881610
4-{5-[2-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 1486742
5-(2-Fluorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2876920
5-(3-Fluorophenyl)-3-(4-pyridyl)-1,2,4-oxadiazole
CID 1504248
5-(2-Fluorophenyl)-3-[4-(trifluoromethyl)-3-pyridyl]-1,2,4-oxadiazole
CID 2726913
4-(5-Phenyl-1,2,4-oxadiazol-3-yl)pyridine
CID 763852
N-{[8-(3-Ethyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}-3-fluorobenzamide
CID 91893121
N-{[8-(3-Ethyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}-2-fluorobenzamide
CID 91893122
N-{[7-(3-Cyclopropyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}-3,4-difluorobenzamide
CID 91893342
2-(3-Fluorophenyl)-N-{[7-(3-propyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}acetamide
CID 91909338
5-(3,4-Difluorophenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 145981292

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3,4-difluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole (CID 53171728) is 5-(3,4-difluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,4-difluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,4-difluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole is Fc1ccc(-c2nc(-c3ccc(-n4cccn4)nc3)no2)cc1F.
What is the InChIKey of 5-(3,4-difluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is PQFHDMNPTPRUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2N5O/c17-12-4-2-10(8-13(12)18)16-21-15(22-24-16)11-3-5-14(19-9-11)23-7-1-6-20-23/h1-9H.
What are the key properties of 5-(3,4-difluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
5-(3,4-difluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 325.28 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53171728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).