[1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine

C12H19N3O — CID 115433782

IUPAC[1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESCC1CC1c1noc(C2(CN)CCCC2)n1
InChIInChI=1S/C12H19N3O/c1-8-6-9(8)10-14-11(16-15-10)12(7-13)4-2-3-5-12/h8-9H,2-7,13H2,1H3
InChIKeyIBAWUGCQOWAXON-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.96
Rot. Bonds3

About [1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine

[1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (PubChem CID 115433782) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
PubChem CID115433782
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESCC1CC1c1noc(C2(CN)CCCC2)n1
InChIInChI=1S/C12H19N3O/c1-8-6-9(8)10-14-11(16-15-10)12(7-13)4-2-3-5-12/h8-9H,2-7,13H2,1H3
InChIKeyIBAWUGCQOWAXON-UHFFFAOYSA-N
XLogP1.96
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride
CID 119948065
1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81162273
[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclobutyl]methanamine
CID 115446020
3-(2-methylcyclopropyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 65421668
[1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 113309256
[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 115450845
[1-[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433828
[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436510
[1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 113311272
[1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 113312330
[1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine
CID 116806535
[1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 115450992

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The IUPAC name of [1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (CID 115433782) is [1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The canonical SMILES for [1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is CC1CC1c1noc(C2(CN)CCCC2)n1.
What is the InChIKey of [1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The InChIKey is IBAWUGCQOWAXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-6-9(8)10-14-11(16-15-10)12(7-13)4-2-3-5-12/h8-9H,2-7,13H2,1H3.
What are the key properties of [1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
[1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is sourced from PubChem (CID 115433782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).