N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanamine

C19H24FN3O2 — CID 126783794

IUPACN-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanamine
SMILESFc1ccccc1-c1noc(CN(CC2CCCO2)C2CCCC2)n1
InChIInChI=1S/C19H24FN3O2/c20-17-10-4-3-9-16(17)19-21-18(25-22-19)13-23(14-6-1-2-7-14)12-15-8-5-11-24-15/h3-4,9-10,14-15H,1-2,5-8,11-13H2
InChIKeyQARCSEKKEYEMJN-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.80
Rot. Bonds6

About N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanamine

N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanamine (PubChem CID 126783794) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanamine.

Molecular Properties

Compound NameN-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanamine
PubChem CID126783794
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC NameN-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanamine
SMILESFc1ccccc1-c1noc(CN(CC2CCCO2)C2CCCC2)n1
InChIInChI=1S/C19H24FN3O2/c20-17-10-4-3-9-16(17)19-21-18(25-22-19)13-23(14-6-1-2-7-14)12-15-8-5-11-24-15/h3-4,9-10,14-15H,1-2,5-8,11-13H2
InChIKeyQARCSEKKEYEMJN-UHFFFAOYSA-N
XLogP3.80
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanamine?
The IUPAC name of N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanamine (CID 126783794) is N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanamine.
What is the SMILES notation for N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanamine?
The canonical SMILES for N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanamine is Fc1ccccc1-c1noc(CN(CC2CCCO2)C2CCCC2)n1.
What is the InChIKey of N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanamine?
The InChIKey is QARCSEKKEYEMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c20-17-10-4-3-9-16(17)19-21-18(25-22-19)13-23(14-6-1-2-7-14)12-15-8-5-11-24-15/h3-4,9-10,14-15H,1-2,5-8,11-13H2.
What are the key properties of N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanamine?
N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanamine has a molecular weight of 345.42 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanamine is sourced from PubChem (CID 126783794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).