2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine

C14H23N5O — CID 82764121

IUPAC2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCC1(c2nc(C3CN4CCN3CC4)no2)CCCC1N
InChIInChI=1S/C14H23N5O/c1-14(4-2-3-11(14)15)13-16-12(17-20-13)10-9-18-5-7-19(10)8-6-18/h10-11H,2-9,15H2,1H3
InChIKeyFLCGBDLEAJTNFE-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.51
Rot. Bonds2

About 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine

2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine (PubChem CID 82764121) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
PubChem CID82764121
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCC1(c2nc(C3CN4CCN3CC4)no2)CCCC1N
InChIInChI=1S/C14H23N5O/c1-14(4-2-3-11(14)15)13-16-12(17-20-13)10-9-18-5-7-19(10)8-6-18/h10-11H,2-9,15H2,1H3
InChIKeyFLCGBDLEAJTNFE-UHFFFAOYSA-N
XLogP0.51
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103594747
2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 82763025
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
CID 83209965
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
CID 83213568
3-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
CID 129345137
3-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743552
2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83214627
2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82764104
2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82764129
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82762337
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 83213717
2-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116807646

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The IUPAC name of 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine (CID 82764121) is 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine is CC1(c2nc(C3CN4CCN3CC4)no2)CCCC1N.
What is the InChIKey of 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The InChIKey is FLCGBDLEAJTNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-14(4-2-3-11(14)15)13-16-12(17-20-13)10-9-18-5-7-19(10)8-6-18/h10-11H,2-9,15H2,1H3.
What are the key properties of 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine has a molecular weight of 277.37 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 82764121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).