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

C18H17FN4O — CID 155941594

IUPAC3-(3-fluorophenyl)-5-(2-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESFc1cccc(-c2noc(-c3cccnc3N3CCCCC3)n2)c1
InChIInChI=1S/C18H17FN4O/c19-14-7-4-6-13(12-14)16-21-18(24-22-16)15-8-5-9-20-17(15)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11H2
InChIKeyVZTMDHXPJJCIHQ-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.93
Rot. Bonds3

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

3-(3-fluorophenyl)-5-(2-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 155941594) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-(2-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-(2-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID155941594
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name3-(3-fluorophenyl)-5-(2-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESFc1cccc(-c2noc(-c3cccnc3N3CCCCC3)n2)c1
InChIInChI=1S/C18H17FN4O/c19-14-7-4-6-13(12-14)16-21-18(24-22-16)15-8-5-9-20-17(15)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11H2
InChIKeyVZTMDHXPJJCIHQ-UHFFFAOYSA-N
XLogP3.93
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid
CID 56770067
N-cyclohexyl-1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135930
1-[1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 53135799
3-(4-methylphenyl)-5-(2-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 46265181
5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769550
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 46265176
N-cyclopentyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 155799638
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 143793994
1-[3-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 143793952
N-cyclohexyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53135810
3-[5-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol
CID 143794018

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-(2-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-fluorophenyl)-5-(2-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole (CID 155941594) is 3-(3-fluorophenyl)-5-(2-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-(2-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-(2-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole is Fc1cccc(-c2noc(-c3cccnc3N3CCCCC3)n2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-(2-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is VZTMDHXPJJCIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-14-7-4-6-13(12-14)16-21-18(24-22-16)15-8-5-9-20-17(15)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11H2.
What are the key properties of 3-(3-fluorophenyl)-5-(2-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
3-(3-fluorophenyl)-5-(2-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 324.36 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-(2-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 155941594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).