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

C13H14FN3O — CID 62716117

IUPAC1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESNC1(c2nc(-c3ccccc3F)no2)CCCC1
InChIInChI=1S/C13H14FN3O/c14-10-6-2-1-5-9(10)11-16-12(18-17-11)13(15)7-3-4-8-13/h1-2,5-6H,3-4,7-8,15H2
InChIKeyXPFXKGZKAOKALG-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.60
Rot. Bonds2

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

1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 62716117) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID62716117
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESNC1(c2nc(-c3ccccc3F)no2)CCCC1
InChIInChI=1S/C13H14FN3O/c14-10-6-2-1-5-9(10)11-16-12(18-17-11)13(15)7-3-4-8-13/h1-2,5-6H,3-4,7-8,15H2
InChIKeyXPFXKGZKAOKALG-UHFFFAOYSA-N
XLogP2.60
TPSA64.94 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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 62716117) is 1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is NC1(c2nc(-c3ccccc3F)no2)CCCC1.
What is the InChIKey of 1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is XPFXKGZKAOKALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-10-6-2-1-5-9(10)11-16-12(18-17-11)13(15)7-3-4-8-13/h1-2,5-6H,3-4,7-8,15H2.
What are the key properties of 1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 247.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 62716117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).