1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine

C18H18FN5O — CID 56769926

IUPAC1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine
SMILESNC1CCCN(c2ccc(-c3nc(-c4ccc(F)cc4)no3)cn2)C1
InChIInChI=1S/C18H18FN5O/c19-14-6-3-12(4-7-14)17-22-18(25-23-17)13-5-8-16(21-10-13)24-9-1-2-15(20)11-24/h3-8,10,15H,1-2,9,11,20H2
InChIKeyJAMIOVZUXSIILJ-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.87
Rot. Bonds3

About 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine

1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine (PubChem CID 56769926) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine
PubChem CID56769926
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine
SMILESNC1CCCN(c2ccc(-c3nc(-c4ccc(F)cc4)no3)cn2)C1
InChIInChI=1S/C18H18FN5O/c19-14-6-3-12(4-7-14)17-22-18(25-23-17)13-5-8-16(21-10-13)24-9-1-2-15(20)11-24/h3-8,10,15H,1-2,9,11,20H2
InChIKeyJAMIOVZUXSIILJ-UHFFFAOYSA-N
XLogP2.87
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56769882
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 56769872
1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol
CID 56769930
1-[5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56769900
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56686574
1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56769891
3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 53037161
3-(4-fluorophenyl)-5-[1-(5-nitro-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133282085
3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 53037167
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 56770081
(3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
CID 95895530
(3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine
CID 95729450

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine?
The IUPAC name of 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine (CID 56769926) is 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine.
What is the SMILES notation for 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine?
The canonical SMILES for 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine is NC1CCCN(c2ccc(-c3nc(-c4ccc(F)cc4)no3)cn2)C1.
What is the InChIKey of 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine?
The InChIKey is JAMIOVZUXSIILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-14-6-3-12(4-7-14)17-22-18(25-23-17)13-5-8-16(21-10-13)24-9-1-2-15(20)11-24/h3-8,10,15H,1-2,9,11,20H2.
What are the key properties of 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine?
1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine has a molecular weight of 339.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 56769926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).