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

C13H14FN3O — CID 43514839

IUPAC3-(3-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESFc1cccc(-c2noc(C3CCCNC3)n2)c1
InChIInChI=1S/C13H14FN3O/c14-11-5-1-3-9(7-11)12-16-13(18-17-12)10-4-2-6-15-8-10/h1,3,5,7,10,15H,2,4,6,8H2
InChIKeySFLFRHKNFAGSIC-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.34
Rot. Bonds2

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

3-(3-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 43514839) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID43514839
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name3-(3-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESFc1cccc(-c2noc(C3CCCNC3)n2)c1
InChIInChI=1S/C13H14FN3O/c14-11-5-1-3-9(7-11)12-16-13(18-17-12)10-4-2-6-15-8-10/h1,3,5,7,10,15H,2,4,6,8H2
InChIKeySFLFRHKNFAGSIC-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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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole (CID 43514839) is 3-(3-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole is Fc1cccc(-c2noc(C3CCCNC3)n2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is SFLFRHKNFAGSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-11-5-1-3-9(7-11)12-16-13(18-17-12)10-4-2-6-15-8-10/h1,3,5,7,10,15H,2,4,6,8H2.
What are the key properties of 3-(3-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
3-(3-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-(3-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 43514839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).