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

C13H14FN3O — CID 4687255

IUPAC3-(4-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CCCNC3)n2)cc1
InChIInChI=1S/C13H14FN3O/c14-11-5-3-9(4-6-11)12-16-13(18-17-12)10-2-1-7-15-8-10/h3-6,10,15H,1-2,7-8H2
InChIKeyVEKBAAWTNGXQKZ-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.34
Rot. Bonds2

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

3-(4-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 4687255) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID4687255
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name3-(4-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CCCNC3)n2)cc1
InChIInChI=1S/C13H14FN3O/c14-11-5-3-9(4-6-11)12-16-13(18-17-12)10-2-1-7-15-8-10/h3-6,10,15H,1-2,7-8H2
InChIKeyVEKBAAWTNGXQKZ-UHFFFAOYSA-N
XLogP2.34
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Adx 47273
CID 11383075
4-(3-Phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 1966104
N-cyclopentyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 3160269
N-cyclohexyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160344
Cyclohexyl-{3-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-methanone
CID 649787
1-(4-Fluorobenzoyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-YL]piperidine
CID 3602027
5-(1-Azabicyclo[2.2.2]octan-3-yl)-3-phenyl-1,2,4-oxadiazole
CID 14810876
3-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-1-phenylmethanesulfonyl-piperidine
CID 647351
cyclobutyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 812579
(2,6-Difluoro-phenyl)-{3-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-methanone
CID 3225863
(S)-cyclobutyl(3-(3-m-tolyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
CID 54587500
cyclopropyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 71652334

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole (CID 4687255) is 3-(4-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole is Fc1ccc(-c2noc(C3CCCNC3)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is VEKBAAWTNGXQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-11-5-3-9(4-6-11)12-16-13(18-17-12)10-2-1-7-15-8-10/h3-6,10,15H,1-2,7-8H2.
What are the key properties of 3-(4-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 247.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 4687255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).